Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H
SMILES c1ccc(cc1)c1nc2n(c1)cccc2
InChI Key KDHWCFCNNGUJCP-UHFFFAOYSA-N
Molecular Formula C13H10N2
Exact Mass 194.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KDHWCFCNNGUJCP-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KDHWCFCNNGUJCP-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 2-phenylimidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7257813204 Mcule
    SCHEMBL966793 SureChEMBL
    201136 PubChem
    4105-21-9 ACToR
    16496475 PubChem: Thomson Pharma
    705051 eMolecules
    CHEMBL1720835 ChEMBL
    CB8739319 ChemicalBook
    DTXSID10276799 EPA CompTox Dashboard
    ZINC000000122018 ZINC
    50269841 BindingDB
    J238.872C Nikkaji
    HMDB0245292 Human Metabolome Database
    NAGGEH CCDC
    The data in this table is sourced from UniChem at EBI.