Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H12BrNO3/c1-7-4-9(12)11(5-10(7)13(14)15)16-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
SMILES Brc1cc(C)c(cc1OCC1CC1)[N+](=O)[O-]
InChI Key KGOQROKYWCORHX-UHFFFAOYSA-N
Molecular Formula C11H12BrNO3
Exact Mass 286.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KGOQROKYWCORHX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KGOQROKYWCORHX-UHFFFAOYSA-N/CHMO0000470
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 1-bromo-2-(cyclopropylmethoxy)-5-methyl-4-nitrobenzene
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168433109 PubChem
    The data in this table is sourced from UniChem at EBI.