five

Compound 8m

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DataCite Commons2025-04-22 更新2025-05-18 收录
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This dataset contains NMR spectra obtained for the sample -Compound 8m date: 2023-04-20T22:14:51.000Z isFt: true name: Compound 8m/4 phc0: -167.56 phc1: 0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.2217641472575003 isComplex: true probeName: Z168771_0015 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298 spectrumSize: 65536 baseFrequency: 500.1 fieldStrength: 11.745646229157161 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9958773253175 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0004500000000000008 frequencyOffset: 3088.117000004331 originFrequency: 500.103088117 pulseStrength90: 20833.333333333332 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-04-22T18:06:14.000Z isFt: true name: Compound 8m/6 phc0: -205.2072 phc1: 126.4175 type: NMR Spectrum DECIM: 664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 26.611364256881224 isComplex: true probeName: Z168771_0015 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 68 temperature: 297.9998 spectrumSize: 32768 baseFrequency: 125.75024502 fieldStrength: 11.743144193733453 numberOfScans: 6144 pulseSequence: zgpg30 spectralWidth: 239.502278311931 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0001493999999999998 frequencyOffset: 12575.025000003847 originFrequency: 125.762820045 pulseStrength90: 25000 experimentNumber: 6 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

本数据集包含针对样品Compound 8m采集的核磁共振(Nuclear Magnetic Resonance, NMR)谱图。 第一组谱图参数: 采集日期:2023-04-20T22:14:51.000Z,是否经傅里叶变换(isFt):是,样品名称:Compound 8m/4,相位0(phc0):-167.56,相位1(phc1):0,谱图类型:核磁共振谱(NMR Spectrum),抽取因子(DECIM):2000,采集模式(aqMod):3,是否为自由感应衰减信号(isFid):否,时间域偏移(tdOff):0,参数文件:TopSpin 4.1.4,DSPFVS:21,观测核:¹H(氢核),是否反转:否,溶剂:氘代氯仿(CDCl3),维数:1维,采样增量:2.2217641472575003,是否为复数据(isComplex):是,探头名称:Z168771_0015 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT),实验类型:1d(一维实验),组延迟:76,温度:298K,谱图尺寸:65536,基频:500.1,磁场强度:11.745646229157161,扫描次数:16,脉冲序列:zg30,谱宽:19.9958773253175,采样点数:10,弛豫时间:1,采集时间:0.0004500000000000008,频率偏移:3088.117000004331,起始频率:500.103088117,90°脉冲功率:20833.333333333332,实验编号:4,线性预测箱:0,线性预测系数数目:0,窗函数乘法模式:1。 第二组谱图参数: 采集日期:2023-04-22T18:06:14.000Z,是否经傅里叶变换(isFt):是,样品名称:Compound 8m/6,相位0(phc0):-205.2072,相位1(phc1):126.4175,谱图类型:核磁共振谱,抽取因子(DECIM):664,采集模式(aqMod):3,是否为自由感应衰减信号(isFid):否,时间域偏移(tdOff):0,参数文件:TopSpin 4.1.4,DSPFVS:20,观测核:¹³C(碳核),是否反转:否,溶剂:氘代氯仿(CDCl3),维数:1维,采样增量:26.611364256881224,是否为复数据(isComplex):是,探头名称:Z168771_0015 (CPP1.1 BBO 500S1 BB-H&F-D-05 Z XT),实验类型:1d(一维实验),组延迟:68,温度:297.9998K,谱图尺寸:32768,基频:125.75024502,磁场强度:11.743144193733453,扫描次数:6144,脉冲序列:zgpg30,谱宽:239.502278311931,采样点数:10,弛豫时间:2,采集时间:0.0001493999999999998,频率偏移:12575.025000003847,起始频率:125.762820045,90°脉冲功率:25000,实验编号:6,线性预测箱:0,线性预测系数数目:0,窗函数乘法模式:1。
提供机构:
nmrXiv
创建时间:
2025-04-22
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