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Epicyclonerodiol Oxide

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DataCite Commons2024-08-30 更新2025-04-16 收录
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This dataset contains NMR spectra obtained for the sample -Epicyclonerodiol Oxide date: 2022-01-14T06:50:44.000Z isFt: true name: Epicyclonerodiol Oxide/1 phc0: 69.26925 phc1: -6.549433 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.20082348278804707 isComplex: true probeName: Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB) experiment: 1d groupDelay: 76 temperature: 297.998 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 64 pulseSequence: zg30 spectralWidth: 20.4839952443808 numberOfPoints: 103 relaxationTime: 3 acquisitionTime: 0.006221999999999999 frequencyOffset: 2470.9260000008726 originFrequency: 400.152470926 pulseStrength90: 32467.532467532466 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-19T17:28:01.000Z isFt: true name: Epicyclonerodiol Oxide/2 phc0: -28.39994 phc1: 30.95964 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 11.8304831152233 isComplex: true probeName: Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB) experiment: 1d groupDelay: 76 temperature: 297.4529 spectrumSize: 131072 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.609662304466 numberOfPoints: 21 relaxationTime: 2 acquisitionTime: 0.00042000000000000007 frequencyOffset: 10061.778999997274 originFrequency: 100.627859309 pulseStrength90: 27777.777777777777 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

本数据集包含针对环氧表环诺二醇(Epicyclonerodiol Oxide)采集的核磁共振波谱(NMR Spectrum)数据,具体参数如下: 第一组谱图: 采集日期:2022-01-14T06:50:44.000Z,已完成傅里叶变换(Fourier Transform, FT),样本命名:Epicyclonerodiol Oxide/1,零阶相位校正项:69.26925,一阶相位校正项:-6.549433,数据类型:核磁共振波谱,降采样因子:2440,采集模式:3,非自由感应衰减(Free Induction Decay, FID)数据,时域偏移:0,标题:参数文件,TopSpin 4.1.3,DSPFVS:21,观测核:氢核(1H),未反转信号,溶剂:氘代氯仿(CDCl3),维度:一维,采样增量:0.20082348278804707,复数据格式,探头名称:Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB),实验类型:一维实验,组延迟:76,温度:297.998 K,谱图尺寸:131072,基频:400.15 MHz,磁场强度:9.398161044985478 T,扫描次数:64,脉冲序列:zg30,谱宽:20.4839952443808,采样点数:103,弛豫时间:3 s,采集时间:0.006221999999999999 s,频率偏移:2470.9260000008726 Hz,起始频率:400.152470926 MHz,90°脉冲功率:32467.532467532466,实验编号:1,线性预测区间:0,线性预测系数数目:0,窗函数乘法模式:1。 第二组谱图: 采集日期:2022-01-19T17:28:01.000Z,已完成傅里叶变换,样本命名:Epicyclonerodiol Oxide/2,零阶相位校正项:-28.39994,一阶相位校正项:30.95964,数据类型:核磁共振波谱,降采样因子:840,采集模式:3,非自由感应衰减数据,时域偏移:0,标题:参数文件,TopSpin 4.1.3,DSPFVS:21,观测核:碳核(13C),未反转信号,溶剂:氘代氯仿(CDCl3),维度:一维,采样增量:11.8304831152233,复数据格式,探头名称:Z172720_0001 (PI HR-BBO400S1-BBF/H/D-5.0-Z SP FB),实验类型:一维实验,组延迟:76,温度:297.4529 K,谱图尺寸:131072,基频:100.61779753 MHz,磁场强度:9.396159066431597 T,扫描次数:1024,脉冲序列:zgpg30,谱宽:236.609662304466,采样点数:21,弛豫时间:2 s,采集时间:0.00042000000000000007 s,频率偏移:10061.778999997274 Hz,起始频率:100.627859309 MHz,90°脉冲功率:27777.777777777777,实验编号:2,线性预测区间: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:
2024-08-30
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