butyl acrylate

This dataset contains NMR spectra obtained for the sample -butyl acrylate date: 2006-02-21T14:47:00.000Z isFt: true name: butyl acrylate/10 phc0: 153.7297 phc1: -4 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, XWIN-NMR Version 3.6 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00031467867742871445 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.6224671252908 numberOfPoints: 65536 relaxationTime: 2 acquisitionTime: 2.6476140000000057 frequencyOffset: 3706.0484139601613 originFrequency: 600.133706048414 pulseStrength90: 29411.764705882353 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 date: 2006-02-21T15:14:08.000Z isFt: false name: butyl acrylate/11 phc0: -69.7384 phc1: -66.6001 type: NMR FID DECIM: 4 aqMod: 1 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000013900000000000008 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 150.902809 digitalFilter: 66.625 fieldStrength: 14.092007892665164 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 238.349614631325 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00005560000000000003 frequencyOffset: 15089.806853012533 originFrequency: 150.917898806853 pulseStrength90: 18656.716417910447 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 isFt: false name: butyl acrylate/12 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014, experiment: cosy temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 16,16 pulseSequence: cosygpqf,mlevtp spectralWidth: 7.49235686957435,7.49235686957435 numberOfPoints: 8 relaxationTime: 1.388178 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,1968.6142079535784 originFrequency: 600.131968614208,600.131968614208 pulseStrength90: 29411.764705882353 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 isFt: false name: butyl acrylate/13 phc0: 286.6095,0 phc1: -16.2,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014,09 experiment: hsqc temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 64,16 pulseSequence: hsqcedetgp,hxco spectralWidth: 7.49235686957435,165.657191919706 numberOfPoints: 8 relaxationTime: 1.450029 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,11254.617096000175 originFrequency: 600.131968614208,150.914063617096 pulseStrength90: 29411.764705882353 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4

本数据集收录了丙烯酸正丁酯样本的核磁共振波谱（Nuclear Magnetic Resonance, NMR）数据，各实验批次的采集参数详情如下：

1. 实验批次10：
初始采集时间：2006-02-21T14:47:00.000Z，为傅里叶变换后数据（isFt=true），样本名称为丙烯酸正丁酯/10；相位参数phc0=153.7297、phc1=-4，数据类型为NMR谱，抽取因子DECIM=16，采集模式aqMod=3，非自由感应衰减（Free Induction Decay, FID，isFid=false），数据偏移tdOff=0；参数文件为XWIN-NMR 版本3.6，DSPFVS值为12；观测核为氢核（1H），溶剂为氘代氯仿（CDCl3），为一维谱，采样增量为0.00031467867742871445，为复数据；探头型号为5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014，实验类型为一维实验（1d），温度300 K，谱尺寸为32768，基频为600.13，磁场强度为14.095010340939984 T，扫描次数为32，脉冲序列为zg30，谱宽为20.6224671252908，数据点数为65536，弛豫时间为2，采集时间为2.6476140000000057，频率偏移为3706.0484139601613，起始频率为600.133706048414，90°脉冲强度为29411.764705882353，实验编号为10，线性预测区间为0，线性预测系数个数为0，窗函数乘法模式为0；后续补充采集时间为2006-02-21T15:14:08.000Z，为非傅里叶变换数据（isFt=false）。

2. 实验批次11：
样本名称为丙烯酸正丁酯/11，相位参数phc0=-69.7384、phc1=-66.6001，数据类型为NMR自由感应衰减信号（NMR FID），抽取因子DECIM=4，采集模式aqMod=1，为自由感应衰减数据（isFid=true），数据偏移tdOff=0；参数文件为TopSpin 3.5.b.91 pl 7，DSPFVS值为10；观测核为碳核（13C），溶剂为氘代氯仿（CDCl3），为一维谱，采样增量为0.000013900000000000008，为复数据；探头型号为5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014，实验类型为一维实验（1d），温度300 K，谱尺寸为32768，基频为150.902809，数字滤波器参数为66.625，磁场强度为14.092007892665164 T，扫描次数为8192，脉冲序列为zgpg30，谱宽为238.349614631325，数据点数为5，弛豫时间为2，采集时间为0.00005560000000000003，频率偏移为15089.806853012533，起始频率为150.917898806853，90°脉冲强度为18656.716417910447，实验编号为11，线性预测区间为0，线性预测系数个数为0，窗函数乘法模式为0，为非傅里叶变换数据（isFt=false）。

3. 实验批次12：
样本名称为丙烯酸正丁酯/12，相位参数phc0=0,0、phc1=0,0，数据类型为NMR自由感应衰减信号（NMR FID），抽取因子DECIM=32,1，采集模式aqMod=3,2，为自由感应衰减数据（isFid=true），数据偏移tdOff=0,0；参数文件为TopSpin 3.5.b.91 pl 7，DSPFVS值为12,0；观测核为双氢核（1H,1H），溶剂为氘代氯仿（CDCl3），为二维谱，采样增量为0.00011120000000000006，为复数据；探头型号为5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014，实验类型为相关波谱（Correlation Spectroscopy, COSY），温度为300,300 K，谱尺寸为1024,1024，基频为600.13,600.13，数字滤波器参数为72.125，磁场强度为14.095010340939984 T，扫描次数为16,16，脉冲序列为cosygpqf,mlevtp，谱宽为7.49235686957435,7.49235686957435，数据点数为8，弛豫时间为1.388178，采集时间为0.0007784000000000004，频率偏移为1968.6142079535784,1968.6142079535784，起始频率为600.131968614208,600.131968614208，90°脉冲强度为29411.764705882353，实验编号为12，采集方案为非相位敏感采集，线性预测区间为0,256，线性预测系数个数为0,32，窗函数乘法模式为3,3，为非傅里叶变换数据（isFt=false）。

4. 实验批次13：
样本名称为丙烯酸正丁酯/13，相位参数phc0=286.6095,0、phc1=-16.2,0，数据类型为NMR自由感应衰减信号（NMR FID），抽取因子DECIM=32,1，采集模式aqMod=3,2，为自由感应衰减数据（isFid=true），数据偏移tdOff=0,0；参数文件为TopSpin 3.5.b.91 pl 7，DSPFVS值为12,0；观测核为氢核与碳核（1H,13C），溶剂为氘代氯仿（CDCl3），为二维谱，采样增量为0.00011120000000000006，为复数据；探头型号为5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014,09，实验类型为异核单量子相干谱（Heteronuclear Single Quantum Coherence, HSQC），温度为300,300 K，谱尺寸为1024,1024，基频为600.13,150.902809，数字滤波器参数为72.125，磁场强度为14.095010340939984 T，扫描次数为64,16，脉冲序列为hsqcedetgp,hxco，谱宽为7.49235686957435,165.657191919706，数据点数为8，弛豫时间为1.450029，采集时间为0.0007784000000000004，频率偏移为1968.6142079535784,11254.617096000175，起始频率为600.131968614208,150.914063617096，90°脉冲强度为29411.764705882353，实验编号为13，采集方案为回波-反回波采集，线性预测区间为0,512，线性预测系数个数为0,32，窗函数乘法模式为4,4。