Compound 32
收藏DataCite Commons2026-01-05 更新2026-05-04 收录
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https://www.nmrxiv.org/sample/S1573
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This dataset contains NMR spectra obtained for the sample -Compound 32 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.0903 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 250.960929380182 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.623333340745 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.1046 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 24.9916902020906 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.133000975 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: cosy Temperature: 298.0817 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 9.09894818179237,9.10115720053036 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 400.13160052,400.13160052 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hmbc Temperature: 298.111 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 9.09894818179237,240.048385639511 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 400.13160052,100.623835930538 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hsqc Temperature: 298.1387 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 9.09894818179237,178.10557964561 Number of Data Points: 1024,256 Relaxation Delay: 1.451667 Observed Frequency: 400.13160052,100.620918160251 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: noesy Temperature: 298.0878 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 9.09894818179237,9.10115720053036 Number of Data Points: 2048,128 Relaxation Delay: 1.928319 Observed Frequency: 400.13160052,400.13160052
本数据集收录针对样品——化合物32的核磁共振(Nuclear Magnetic Resonance, NMR)谱图,各谱图的详细参数如下:
核种类:13C核磁共振(13C NMR)
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:1d
测试温度:298.0903
观测频率:100.612769
磁场强度:9.39626001094152
扫描次数:1024
核磁共振脉冲序列:zgpg30
谱宽:250.960929380182
数据点数:65536
弛豫延迟:2
观测频率:100.623333340745
核种类:1H核磁共振(1H NMR)
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:1d
测试温度:298.1046
观测频率:400.13
磁场强度:9.397691291560301
扫描次数:16
核磁共振脉冲序列:zg30
谱宽:24.9916902020906
数据点数:65536
弛豫延迟:1
观测频率:400.133000975
核种类:1H,1H核磁共振
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:cosy
测试温度:298.0817
观测频率:400.13,400.13
磁场强度:9.397691291560301
扫描次数:1
核磁共振脉冲序列:cosygpppqf
谱宽:9.09894818179237,9.10115720053036
数据点数:2048,256
弛豫延迟:2
观测频率:400.13160052,400.13160052
核种类:1H,13C核磁共振
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:hmbc
测试温度:298.111
观测频率:400.13,100.612768526
磁场强度:9.397691291560301
扫描次数:4
核磁共振脉冲序列:hmbcgpl2ndqf
谱宽:9.09894818179237,240.048385639511
数据点数:2048,256
弛豫延迟:1.5
观测频率:400.13160052,100.623835930538
核种类:1H,13C核磁共振
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:hsqc
测试温度:298.1387
观测频率:400.13,100.612768526
磁场强度:9.397691291560301
扫描次数:2
核磁共振脉冲序列:hsqcetgpsi2
谱宽:9.09894818179237,178.10557964561
数据点数:1024,256
弛豫延迟:1.451667
观测频率:400.13160052,100.620918160251
核种类:1H,1H核磁共振
溶剂:氘代氯仿(CDCl3)
核磁共振探头:5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035
核磁共振脉冲序列:noesy
测试温度:298.0878
观测频率:400.13,400.13
磁场强度:9.397691291560301
扫描次数:4
核磁共振脉冲序列:noesygpphpp
谱宽:9.09894818179237,9.10115720053036
数据点数:2048,128
弛豫延迟:1.928319
观测频率:400.13160052,400.13160052
提供机构:
nmrXiv
创建时间:
2026-01-05



