Dataset

3(2'-Chlorophenyl)-7-ethoxycoumarin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80285 contains the MS mass spectrum of 3(2'-Chlorophenyl)-7-ethoxycoumarin with the InChIkey GIFPGRLKDGPYAR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H13ClO3/c1-2-20-12-8-7-11-9-14(17(19)21-16(11)10-12)13-5-3-4-6-15(13)18/h3-10H,2H2,1H3
SMILES CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3Cl
InChI Key GIFPGRLKDGPYAR-UHFFFAOYSA-N
Molecular Formula C17H13ClO3
Exact Mass 300.055 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-BML80285
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenyl)-7-ethoxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL7116196 SureChEMBL
    689007 PubChem
    ZINC000000058106 ZINC
    MCULE-4045656886 Mcule
    4368017 eMolecules
    The data in this table is sourced from UniChem at EBI.