Dataset

13C[3]

Chemical Information

Molecular Image
InChI InChI=1S/C15H16N2O2.ClH/c1-19-14-4-2-3-12(9-14)15(18)17-13-7-5-11(10-16)6-8-13;/h2-9H,10,16H2,1H3,(H,17,18);1H
SMILES COC1=CC(C(=O)NC2=CC=C(CN)C=C2)=CC=C1.Cl
InChI Key WIBVQKRJNAHJRP-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p195.s2287.d8877
License URL
Source https://nmrxiv.org/D8877
Version
Author
Maintainer
Language english
MetadataPublished 2026-06-28T05:25:00.000000Z
Related Molecule
  • nfdi4chem-mol2652 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : Z122623_0029 (CPP BBO 400S1 BB-H&F-D-05 Z)

    Temperature : 298.0018 K

    magnetic field strength : 9.385692608603366 Tesla

    number of scans : 256 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 239.165669527928

    number of data points : 65536 points

    relaxation time measurement : 2 seconds

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