Dataset

3(4'-Chlorophenyl)-4,6-dimethylcoumarin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80305 contains the MS mass spectrum of 3(4'-Chlorophenyl)-4,6-dimethylcoumarin with the InChIkey RGNMXSPMIDBLKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H13ClO2/c1-10-3-8-15-14(9-10)11(2)16(17(19)20-15)12-4-6-13(18)7-5-12/h3-9H,1-2H3
SMILES CC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)Cl
InChI Key RGNMXSPMIDBLKW-UHFFFAOYSA-N
Molecular Formula C17H13ClO2
Exact Mass 284.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80305
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(4-chlorophenyl)-4,6-dimethylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    688774 pubchem
    DTXSID101345937 comptox
    The data in this table is sourced from UniChem at EBI.