Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3
SMILES CNc1ccccc1NC
InChI Key UMAPFAAAQBMYNJ-UHFFFAOYSA-N
Molecular Formula C8H12N2
Exact Mass 136.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMAPFAAAQBMYNJ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/UMAPFAAAQBMYNJ-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 1-N,2-N-dimethylbenzene-1,2-diamine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36772515 eMolecules
    SCHEMBL653948 SureChEMBL
    16898909 PubChem: Thomson Pharma
    ZINC000071773610 ZINC
    DTXSID00472602 EPA CompTox Dashboard
    WIBVIQ CCDC
    11788324 PubChem
    J410.105G Nikkaji
    The data in this table is sourced from UniChem at EBI.