Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
SMILES COC(=O)c1cc(Br)ccc1NC(=O)C
InChI Key CPARHIBNDSEJGR-UHFFFAOYSA-N
Molecular Formula C10H10BrNO3
Exact Mass 272.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-07-17
Related Molecule
  • methyl 2-acetamido-5-bromobenzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5899451 surechembl
    736223 pubchem
    Molport-000-877-153 molport
    The data in this table is sourced from UniChem at EBI.