Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H18BrNO4/c1-12(24)23-13-8-9-18(22)16(10-13)20(25)17-11-19(26-2)14-6-4-5-7-15(14)21(17)27-3/h4-11H,1-3H3,(H,23,24)
SMILES COc1c(cc(c2c1cccc2)OC)C(=O)c1cc(ccc1Br)NC(=O)C
InChI Key OPAWPZCMGGZOAK-UHFFFAOYSA-N
Molecular Formula C21H18BrNO4
Exact Mass 428.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OPAWPZCMGGZOAK-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/OPAWPZCMGGZOAK-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[4-bromo-3-(1,4-dimethoxynaphthalene-2-carbonyl)phenyl]acetamide
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035842 pubchem
    UYUDOK CCDC
    The data in this table is sourced from UniChem at EBI.