Dataset

1H[1]

Chemical Information

Molecular Image
InChI InChI=1S/C13H13N3O.ClH/c14-9-10-4-6-11(7-5-10)16-13(17)12-3-1-2-8-15-12;/h1-8H,9,14H2,(H,16,17);1H
SMILES Cl.NCC1=CC=C(NC(=O)C2=CC=CC=N2)C=C1
InChI Key HNXLMQDAVGEMOJ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p195.s2285.d8875
License URL
Source https://nmrxiv.org/D8875
Version
Author
Maintainer
Language english
MetadataPublished 2026-06-28T05:25:00.000000Z
Related Molecule
  • nfdi4chem-mol9637 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

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

    Temperature : 297.9987 K

    magnetic field strength : 9.387122323771827 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 19.9626589576715

    number of data points : 65536 points

    relaxation time measurement : 1 seconds

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