Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C15H9N7/c16-9-10-5-7-11(8-6-10)17-14-15-19-20-21-22(15)13-4-2-1-3-12(13)18-14/h1-8H,(H,17,18)
SMILES N#Cc1ccc(cc1)Nc1nc2ccccc2n2c1nnn2
InChI Key LEJWPKZJXWOOJB-UHFFFAOYSA-N
Exact Mass 287.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LEJWPKZJXWOOJB-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LEJWPKZJXWOOJB-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzonitrile
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4078510 chembl
    137649146 pubchem
    50238442 bindingdb
    The data in this table is sourced from UniChem at EBI.