Dataset

3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80290 contains the MS mass spectrum of 3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin with the InChIkey JBSCMIAEEWZQBR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H13ClO3/c22-17-9-5-4-8-15(17)20-19(13-6-2-1-3-7-13)16-11-10-14(23)12-18(16)25-21(20)24/h1-12,23H
SMILES C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4Cl
InChI Key JBSCMIAEEWZQBR-UHFFFAOYSA-N
Molecular Formula C21H13ClO3
Exact Mass 348.055 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-BML80290
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31675804 surechembl
    7164709 surechembl
    6312947 pubchem
    The data in this table is sourced from UniChem at EBI.