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/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
SMILES Brc1cccc2c1CNCC2
InChI Key KHWGHUZYXQPIKA-UHFFFAOYSA-N
Molecular Formula C9H10BrN
Exact Mass 212.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 8-bromo-1,2,3,4-tetrahydroisoquinoline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000038540946 ZINC
    SCHEMBL3177381 SureChEMBL
    32233889 eMolecules
    12630420 PubChem
    CB8547345 ChemicalBook
    DTXSID90504986 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.