Dataset

4,6-Dimethyl-3(4'-hydroxyphenyl)coumarin; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80396 contains the MS mass spectrum of 4,6-Dimethyl-3(4'-hydroxyphenyl)coumarin with the InChIkey VHDNSQUTVWULEW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O3/c1-10-3-8-15-14(9-10)11(2)16(17(19)20-15)12-4-6-13(18)7-5-12/h3-9,18H,1-2H3
SMILES CC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)O
InChI Key VHDNSQUTVWULEW-UHFFFAOYSA-N
Molecular Formula C17H14O3
Exact Mass 266.094 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-BML80396
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(4-hydroxyphenyl)-4,6-dimethylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1554901 chembl
    688791 pubchem
    The data in this table is sourced from UniChem at EBI.