Dataset

2j[2j-13C]

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.d7695
License URL
Source https://nmrxiv.org/D7695
Version
Author
Maintainer
Language english
MetadataPublished 2026-03-20T08:59:28.000000Z
Related Molecule
  • nfdi4chem-mol6820 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

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

    Temperature : 298.0017 K

    magnetic field strength : 11.744561760260211 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : zgdc30

    Spectral Width : 272.2903092869

    number of data points : 171232 points

    relaxation time measurement : 1.2 seconds

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