Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N6O/c1-10(23)11-6-8-12(9-7-11)17-15-16-19-20-21-22(16)14-5-3-2-4-13(14)18-15/h2-9H,1H3,(H,17,18)
SMILES CC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1nnn2
InChI Key OIHNAVUWMWBKPA-UHFFFAOYSA-N
Molecular Formula C16H12N6O
Exact Mass 304.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OIHNAVUWMWBKPA-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/OIHNAVUWMWBKPA-UHFFFAOYSA-N/CHMO0001148
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24386451 eMolecules
    20889086 PubChem
    ZINC000006752087 ZINC
    MCULE-8681523956 Mcule
    SCHEMBL15626118 SureChEMBL
    The data in this table is sourced from UniChem at EBI.