Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H10BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
SMILES Brc1cccc2c1CCNC2
InChI Key IZCCDTQAIOPIGY-UHFFFAOYSA-N
Molecular Formula C9H10BrN
Exact Mass 212.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IZCCDTQAIOPIGY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IZCCDTQAIOPIGY-UHFFFAOYSA-N/CHMO0000593
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-10
Related Molecule
  • 5-bromo-1,2,3,4-tetrahydroisoquinoline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12823199 PubChem
    SCHEMBL1010522 SureChEMBL
    MCULE-4349076953 Mcule
    ZINC000012956924 ZINC
    DTXSID80510738 EPA CompTox Dashboard
    31415398 eMolecules
    The data in this table is sourced from UniChem at EBI.