Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H16BrNO3/c1-22-14-5-3-12(4-6-14)11-20-8-7-15-16(18(21)23-2)9-13(19)10-17(15)20/h3-10H,11H2,1-2H3
SMILES COc1ccc(cc1)Cn1ccc2c1cc(Br)cc2C(=O)OC
InChI Key NSLHWLLKHINCSE-UHFFFAOYSA-N
Molecular Formula C18H16BrNO3
Exact Mass 374.229 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000470
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • methyl 6-bromo-1-[(4-methoxyphenyl)methyl]indole-4-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168433101 PubChem
    The data in this table is sourced from UniChem at EBI.