Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23)
SMILES c1ccc(nc1)/N=C/1\N/C(=N\c2ccccn2)/c2c1cccc2
InChI Key BSMBZDDPUMOQPJ-UHFFFAOYSA-N
Molecular Formula C18H13N5
Exact Mass 299.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BSMBZDDPUMOQPJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BSMBZDDPUMOQPJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-29
Related Molecule
  • N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1586416 chembl
    31493860 surechembl
    3968879 surechembl
    3968881 surechembl
    9976117 surechembl
    2335342 pubchem
    5671398 pubchem
    6362174 pubchem
    W6A2N6JEY2 fdasrs
    ISAKUI CCDC
    174472 brenda
    38947 bindingdb
    The data in this table is sourced from UniChem at EBI.