Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H9BrO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,1H3
SMILES COc1cc(Br)c2c(c1)cccc2
InChI Key GPVSVDNPAVXAQT-UHFFFAOYSA-N
Molecular Formula C11H9BrO
Exact Mass 237.093 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GPVSVDNPAVXAQT-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GPVSVDNPAVXAQT-UHFFFAOYSA-N/CHMO0000470
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-08-22
Related Molecule
  • 1-bromo-3-methoxynaphthalene
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30011882 surechembl
    5782272 surechembl
    13025837 pubchem
    Molport-046-837-804 molport
    The data in this table is sourced from UniChem at EBI.