5j

This dataset contains NMR spectra obtained for the sample -5j date: 2023-11-13T13:43:52.000Z isFt: true name: 5j/1 phc0: 260.1786 phc1: -6.518696 type: NMR Spectrum DECIM: 224 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 19F reverse: false solvent: CDCl3 dimension: 1 increment: 29.646424730462623 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0120 experiment: 1d groupDelay: 67.9827117919922 temperature: 296.162 spectrumSize: 65536 baseFrequency: 376.498366 fieldStrength: 9.399945170221654 numberOfScans: 128 pulseSequence: zgflqn spectralWidth: 237.171397843701 numberOfPoints: 9 relaxationTime: 1 acquisitionTime: 0.00004479999999999998 frequencyOffset: -37649.83659999643 originFrequency: 376.4607161634 pulseStrength90: 21739.130434782608 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-10-27T20:12:59.000Z isFt: true name: 5j/2 phc0: -215.7348 phc1: 11.33806 type: NMR Spectrum DECIM: 832 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 26.544077410229775 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0120 experiment: 1d groupDelay: 67.9839324951172 temperature: 297.0303 spectrumSize: 32768 baseFrequency: 100.612769 fieldStrength: 9.395689478854546 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 238.896696692068 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00018720000000000038 frequencyOffset: 10060.328806005713 originFrequency: 100.622829328806 pulseStrength90: 27777.777777777777 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-10-27T11:42:29.000Z isFt: true name: 5j/0 phc0: 9.737556 phc1: 7.025518 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.2836004482497554 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0120 experiment: 1d groupDelay: 67.9842224121094 temperature: 295.9881 spectrumSize: 65536 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.5524040342478 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0005471999999999999 frequencyOffset: 2470.966543000941 originFrequency: 400.132470966543 pulseStrength90: 25000 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

本数据集收录了样本-5j的多条一维核磁共振波谱数据，具体参数如下：

第一条数据：
采集时间为2023-11-13T13:43:52.000Z，isFt为true，名称为5j/1，phc0值为260.1786，phc1值为-6.518696，数据类型为核磁共振波谱（NMR Spectrum），DECIM值为224，aqMod值为3，isFid为false，tdOff值为0，标题为"参数文件，TOPSPIN 版本3.0"，DSPFVS值为20，观测原子核为19F，reverse为false，溶剂为氘代氯仿（CDCl3），维度为1，采样增量为29.646424730462623，isComplex为true，探头型号为5 mm PABBO BB-1H/D Z-GRD Z108618/0120，实验类型为1d，组延迟为67.9827117919922，温度为296.162，谱图点数为65536，基频为376.498366，磁场强度为9.399945170221654，扫描次数为128，脉冲序列为zgflqn，谱宽为237.171397843701，采样点数为9，弛豫时间为2，采集时间为0.00004479999999999998，频率偏移为-37649.83659999643，起始频率为376.4607161634，90°脉冲强度为21739.130434782608，实验编号为1，线性预测箱为0，线性预测系数数量为0，窗函数乘法模式为1，更新时间为2023-10-27T20:12:59.000Z。

第二条数据：
isFt为true，名称为5j/2，phc0值为-215.7348，phc1值为11.33806，数据类型为核磁共振波谱，DECIM值为832，aqMod值为3，isFid为false，tdOff值为0，标题为"参数文件，TOPSPIN 版本3.0"，DSPFVS值为20，观测原子核为13C，reverse为false，溶剂为氘代氯仿（CDCl3），维度为1，采样增量为26.544077410229775，isComplex为true，探头型号为5 mm PABBO BB-1H/D Z-GRD Z108618/0120，实验类型为1d，组延迟为67.9839324951172，温度为297.0303，谱图点数为32768，基频为100.612769，磁场强度为9.395689478854546，扫描次数为1024，脉冲序列为zgpg30，谱宽为238.896696692068，采样点数为10，弛豫时间为2，采集时间为0.00018720000000000038，频率偏移为10060.328806005713，起始频率为100.622829328806，90°脉冲强度为27777.777777777777，实验编号为2，线性预测箱为0，线性预测系数数量为0，窗函数乘法模式为1，采集时间为2023-10-27T11:42:29.000Z。

第三条数据：
isFt为true，名称为5j/0，phc0值为9.737556，phc1值为7.025518，数据类型为核磁共振波谱，DECIM值为2432，aqMod值为3，isFid为false，tdOff值为0，标题为"参数文件，TOPSPIN 版本3.0"，DSPFVS值为20，观测原子核为1H，reverse为false，溶剂为氘代氯仿（CDCl3），维度为1，采样增量为2.2836004482497554，isComplex为true，探头型号为5 mm PABBO BB-1H/D Z-GRD Z108618/0120，实验类型为1d，组延迟为67.9842224121094，温度为295.9881，谱图点数为65536，基频为400.13，磁场强度为9.397691313082694，扫描次数为16，脉冲序列为zg30，谱宽为20.5524040342478，采样点数为10，弛豫时间为1，采集时间为0.0005471999999999999，频率偏移为2470.966543000941，起始频率为400.132470966543，90°脉冲强度为25000，实验编号为0，线性预测箱为0，线性预测系数数量为0，窗函数乘法模式为1。

搜集汇总

背景与挑战

背景概述

数据集5j包含三个NMR光谱数据集（19F、13C和1H），记录了钴催化C-H活化与曼尼希反应结合合成α-取代磺酰胺的实验数据，详细提供了实验参数和条件。