Dataset

2j[2j-1H]

This dataset contains NMR spectra obtained for the sample -2j Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 298.0017 Observed Frequency: 125.757788526 Magnetic Field Strength: 11.744561760260211 Number of Scans: 128 NMR Pulse Sequence: zgdc30 Spectral Width: 272.2903092869 Number of Data Points: 171232 Relaxation Delay: 1.2 Observed Frequency: 125.772288526 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z107909_0022 (CP DCH 500S2 C/H-D-05 Z) NMR Pulse Sequence: 1d Temperature: 297.9952 Observed Frequency: 500.13 Magnetic Field Strength: 11.746350800110099 Number of Scans: 8 NMR Pulse Sequence: zg30 Spectral Width: 21.7333493299568 Number of Data Points: 86956 Relaxation Delay: 0.5 Observed Frequency: 500.13300078

Chemical Information

molecular Image
InChI InChI=1S/C24H27NO2S/c1-2-27-23(26)22-17-25(16-19-9-5-3-6-10-19)24(12-7-4-8-13-24)15-21(22)20-11-14-28-18-20/h3,5-6,9-11,14-15,17-18H,2,4,7-8,12-13,16H2,1H3
SMILES CCOC(=O)C1=CN(CC2=CC=CC=C2)C2(C=C1C1=CSC=C1)CCCCC2
InChI Key QDHNBPGFUNYGJA-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p165.s1735.d7696
License URL
Source https://nmrxiv.org/D7696
Version
Author
Maintainer
Language english
MetadataPublished 2026-03-20T08:59:28.000000Z
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H']

NMR spectrum by dimensionality : 1

NMR probe : Z107909_0022 (CP DCH 500S2 C/H-D-05 Z)

Temperature : 297.9952 K

magnetic field strength : 11.746350800110099 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 21.7333493299568

number of data points : 86956 points

relaxation time measurement : 0.5 seconds

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.