Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
SMILES CC(Br)C
InChI Key NAMYKGVDVNBCFQ-UHFFFAOYSA-N
Molecular Formula C3H7Br
Exact Mass 122.992 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NAMYKGVDVNBCFQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NAMYKGVDVNBCFQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • 2-bromopropane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL451810 chembl
    10251 surechembl
    6358 pubchem
    R651XOV97Z fdasrs
    BESXUS CCDC
    166479 brenda
    Molport-001-779-707 molport
    The data in this table is sourced from UniChem at EBI.