Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
SMILES Cc1cccc(n1)c1cccc(n1)C
InChI Key OHJPGUSXUGHOGE-UHFFFAOYSA-N
Molecular Formula C12H12N2
Exact Mass 184.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHJPGUSXUGHOGE-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/OHJPGUSXUGHOGE-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-21
Related Molecule
  • 2-methyl-6-(6-methylpyridin-2-yl)pyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5271745802 Mcule
    SCHEMBL196966 SureChEMBL
    10019268 NMRShiftDB
    20445 PubChem
    ZINC000000403297 ZINC
    50401355 BindingDB
    J23.946A Nikkaji
    DTXSID30196041 EPA CompTox Dashboard
    NOFZUD CCDC
    CHEMBL2205806 ChEMBL
    515032 eMolecules
    16202673 PubChem: Thomson Pharma
    4411-80-7 ACToR
    CB4275688 ChemicalBook
    AF3HZ0ZAN4 FDA SRS
    The data in this table is sourced from UniChem at EBI.