Triplinone O

This dataset contains NMR spectra obtained for the sample -Triplinone O Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: 1d Temperature: 297.9973 Observed Frequency: 600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 4 NMR Pulse Sequence: zg Spectral Width: 12.0145670747294 Number of Data Points: 76920 Relaxation Delay: 30 Observed Frequency: 600.232902 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: cosy Temperature: 297.9955 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 16 NMR Pulse Sequence: cosygpqf Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.23360138,600.23360138 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hsqc Temperature: 298.0265 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 24 NMR Pulse Sequence: hsqcedetgpsisp2.4 Spectral Width: 12.0145650900929,199.553643664195 Number of Data Points: 2048,256 Relaxation Delay: 5 Observed Frequency: 600.23300115,150.939273143 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hmbc Temperature: 297.9741 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 12.0145530755999,250.947551390514 Number of Data Points: 2048,512 Relaxation Delay: 5 Observed Frequency: 600.23360138,150.943046341355 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: noesy Temperature: 297.9851 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 24 NMR Pulse Sequence: noesyph Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 3604,256 Relaxation Delay: 3 Observed Frequency: 600.23360138,600.23360138

本数据集包含为样品Triplinone采集的核磁共振（Nuclear Magnetic Resonance, NMR）谱图，各采集批次的详细参数如下：
1. 氢核磁共振（1H NMR）实验：溶剂为氘代甲醇（MeOD），使用的核磁共振探头型号为Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ)，采用脉冲序列1d进行采集；实验温度为297.9973 K，观测频率为600.23 MHz，磁场强度为14.097358968168445 T，扫描次数为4次。后续采用脉冲序列zg采集时，参数为：光谱宽度12.0145670747294 Hz，数据点数76920，弛豫延迟30 s，观测频率为600.232902 MHz，观测核为1H。
2. 同核相关谱（COSY）核磁共振实验：观测核为1H，溶剂为氘代甲醇（MeOD），探头型号同上；先后采用脉冲序列cosy与cosygpqf采集，实验温度为297.9955 K，观测频率为600.23 MHz、600.23 MHz，磁场强度为14.097358968168445 T，扫描次数为16次；采集参数为：光谱宽度12.0145530755999 Hz、12.0030117181785 Hz，数据点数2048、256，弛豫延迟2 s，最终观测频率为600.23360138 MHz、600.23360138 MHz。
3. 异核单量子相干谱（HSQC）核磁共振实验：观测核为1H与13C，溶剂为氘代甲醇（MeOD），探头型号同上；先后采用脉冲序列hsqc与hsqcedetgpsisp2.4采集，实验温度为298.0265 K，观测频率为600.23 MHz、150.927953546 MHz，磁场强度为14.097358968168445 T，扫描次数为24次；采集参数为：光谱宽度12.0145650900929 Hz、199.553643664195 Hz，数据点数2048、256，弛豫延迟5 s，最终观测频率为600.23300115 MHz、150.939273143 MHz。
4. 异核多键相干谱（HMBC）核磁共振实验：观测核为1H与13C，溶剂为氘代甲醇（MeOD），探头型号同上；先后采用脉冲序列hmbc与hmbcgpl2ndqf采集，实验温度为297.9741 K，观测频率为600.23 MHz、150.927953546 MHz，磁场强度为14.097358968168445 T，扫描次数为32次；采集参数为：光谱宽度12.0145530755999 Hz、250.947551390514 Hz，数据点数2048、512，弛豫延迟5 s，最终观测频率为600.23360138 MHz、150.943046341355 MHz。
5. 核奥弗豪泽增强谱（NOESY）核磁共振实验：观测核为1H，溶剂为氘代甲醇（MeOD），探头型号同上；先后采用脉冲序列noesy与noesyph采集，实验温度为297.9851 K，观测频率为600.23 MHz、600.23 MHz，磁场强度为14.097358968168445 T，扫描次数为24次；采集参数为：光谱宽度12.0145530755999 Hz、12.0030117181785 Hz，数据点数3604、256，弛豫延迟3 s，最终观测频率为600.23360138 MHz、600.23360138 MHz。