DOI: 10.57992/nmrxiv.p155.s1559
title: 4_THXI-029C_3_keto_d4_12_pyridine_17_keto_DHEA_09242024_FULL

description: This dataset contains NMR spectra obtained for the sample -4_THXI-029C_3_keto_d4_12_pyridine_17_keto_DHEA_09242024_FULL Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.1497 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 200 NMR Pulse Sequence: zg30 Spectral Width: 19.9946778845251 Number of Data Points: 32768 Relaxation Delay: 1 Observed Frequency: 500.133088302 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.1465 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 200 NMR Pulse Sequence: udeft Spectral Width: 236.636865340793 Number of Data Points: 21424 Relaxation Delay: 4 Observed Frequency: 125.770364305 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: hsqc Temperature: 298.1494 Observed Frequency: 500.13,125.757788526 Magnetic Field Strength: 11.746350800110099 Number of Scans: 10 NMR Pulse Sequence: hsqcedetgpsisp2.3 Spectral Width: 12.983576218522,164.962602395549 Number of Data Points: 2048,32 Relaxation Delay: 1.5 Observed Frequency: 500.132350611,125.767220361 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: hmbc Temperature: 298.148 Observed Frequency: 500.13,125.757788526 Magnetic Field Strength: 11.746350800110099 Number of Scans: 10 NMR Pulse Sequence: hmbcetgpl3nd Spectral Width: 12.9835658317182,239.487911911164 Number of Data Points: 4096,32 Relaxation Delay: 2 Observed Frequency: 500.132750715,125.770364305 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: cosy Temperature: 298.1491 Observed Frequency: 500.13,500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 10 NMR Pulse Sequence: cosygpppqf Spectral Width: 12.9835593399742,12.9835593399742 Number of Data Points: 2048,32 Relaxation Delay: 2 Observed Frequency: 500.13300078,500.13300078 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: noesy Temperature: 298.1513 Observed Frequency: 500.13,500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 9.99735368826195,9.99735368826195 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 500.132350611,500.132350611 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: dept Temperature: 298.1515 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 32 NMR Pulse Sequence: deptsp135 Spectral Width: 160.305598442561 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 125.767849148 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) NMR Pulse Sequence: dept Temperature: 298.1508 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 128 NMR Pulse Sequence: deptsp90 Spectral Width: 236.636865341416 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 125.770364305