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4-O-Methyl Olivetolic acid

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DataCite Commons2026-03-20 更新2026-05-04 收录
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https://www.nmrxiv.org/sample/S1757
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This dataset contains NMR spectra obtained for the sample -4-O-Methyl Olivetolic acid Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z148997/0005 NMR Pulse Sequence: 1d Temperature: 298.1957 Observed Frequency: 150.902809 Magnetic Field Strength: 14.092863598112938 Number of Scans: 117 NMR Pulse Sequence: zgpg30 Spectral Width: 258.827607791135 Number of Data Points: 32768 Relaxation Delay: 1 Observed Frequency: 150.92091733708 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z148997/0005 NMR Pulse Sequence: 1d Temperature: 298.0975 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 40.0552640763455 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.1323944 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z148997/0005 NMR Pulse Sequence: hsqc Temperature: 298.1957 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 2 NMR Pulse Sequence: hsqcedetgpsisp2.3 Spectral Width: 6.89693247213933,110.072718751269 Number of Data Points: 2048,50 Relaxation Delay: 1 Observed Frequency: 600.1324305265,150.912014071349 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm CPTCI 1H-13C/15N/D Z-GRD Z148997/0005 NMR Pulse Sequence: hmbc Temperature: 298.0975 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 2 NMR Pulse Sequence: hmbcetgpl3nd Spectral Width: 11.7898247837057,176.227104850196 Number of Data Points: 2048,256 Relaxation Delay: 1 Observed Frequency: 600.1337448112,150.917446572473

本数据集包含针对4-O-甲基奥利弗酸核(-4-O-Methyl Olivetolic acid Nucleus)获取的全套核磁共振(Nuclear Magnetic Resonance, NMR)谱图,所有测试均采用氘代氯仿(CDCl3)作为溶剂,所用核磁共振探头均为5 mm CPTCI 1H-13C/15N/D Z-GRD Z148997/0005,弛豫延迟均为1 s,具体各谱参数如下: 1. 碳-13核磁共振(13C NMR)谱:观测核为13C,实验脉冲序列为1d、zgpg30,测试温度298.1957 K,观测频率150.902809 MHz,磁场强度14.092863598112938 T,扫描次数117,谱宽258.827607791135 Hz,数据点数32768。 2. 氢-1核磁共振(1H NMR)谱:观测核为1H,实验脉冲序列为1d、zg30,测试温度298.0975 K,观测频率600.13 MHz,磁场强度14.095010308659894 T,扫描次数16,谱宽40.0552640763455 Hz,数据点数65536。 3. 异核单量子相干(HSQC)谱(1H,13C NMR):观测核为1H与13C,实验脉冲序列为hsqc、hsqcedetgpsisp2.3,测试温度298.1957 K,观测频率分别为600.13 MHz、150.902809 MHz,磁场强度14.095010308659894 T,扫描次数2,谱宽分别为6.89693247213933 Hz、110.072718751269 Hz,数据点数分别为2048、50。 4. 异核多键相关(HMBC)谱(1H,13C NMR):观测核为1H与13C,实验脉冲序列为hmbc、hmbcetgpl3nd,测试温度298.0975 K,观测频率分别为600.13 MHz、150.902809 MHz,磁场强度14.095010308659894 T,扫描次数2,谱宽分别为11.7898247837057 Hz、176.227104850196 Hz,数据点数分别为2048、256。
提供机构:
nmrXiv
创建时间:
2026-03-20
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