Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C25H22BrNO4/c1-29-20-7-3-17(4-8-20)15-27-12-11-22-23(13-19(26)14-24(22)27)25(28)31-16-18-5-9-21(30-2)10-6-18/h3-14H,15-16H2,1-2H3
SMILES COc1ccc(cc1)COC(=O)c1cc(Br)cc2c1ccn2Cc1ccc(cc1)OC
InChI Key AQASDUWYMYHQGN-UHFFFAOYSA-N
Molecular Formula C25H22BrNO4
Exact Mass 480.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQASDUWYMYHQGN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/AQASDUWYMYHQGN-UHFFFAOYSA-N/CHMO0000470
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • (4-methoxyphenyl)methyl 6-bromo-1-[(4-methoxyphenyl)methyl]indole-4-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168433122 PubChem
    The data in this table is sourced from UniChem at EBI.