Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
SMILES Oc1cc2ccccc2c(c1)Br
InChI Key PQNQMYMGUXGWTG-UHFFFAOYSA-N
Molecular Formula C10H7BrO
Exact Mass 223.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • 4-bromonaphthalen-2-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1055937 surechembl
    30049245 surechembl
    30643782 surechembl
    12115596 pubchem
    Molport-022-880-522 molport
    The data in this table is sourced from UniChem at EBI.