Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
SMILES Cn1ccc2c1cccc2
InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N
Molecular Formula C9H9N
Exact Mass 131.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-08
Related Molecule
  • 1-methylindole
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL19912 chembl
    29384135 surechembl
    29812 surechembl
    11781 pubchem
    8H698ROJ5F fdasrs
    PD216723 probes_and_drugs
    120927 brenda
    225056 brenda
    HMDB0243941 hmdb
    Molport-001-758-848 molport
    50098763 bindingdb
    The data in this table is sourced from UniChem at EBI.