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/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
SMILES Oc1cccc2c1ccnc2
InChI Key CSNXUYRHPXGSJD-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CSNXUYRHPXGSJD-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/CSNXUYRHPXGSJD-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-10
Related Molecule
  • isoquinolin-5-ol
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5SG rcsb_pdb
    CHEMBL57481 chembl
    276518 surechembl
    30386 pubchem
    GIXXUJ CCDC
    43546 brenda
    50430448 bindingdb
    50502517 bindingdb
    Molport-001-761-349 molport
    The data in this table is sourced from UniChem at EBI.