Dataset

3(2'-Chlorophenyl)-7-ethoxycoumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01540 contains the MS2 mass spectrum of 3(2'-Chlorophenyl)-7-ethoxycoumarin with the InChIkey GIFPGRLKDGPYAR-UHFFFAOYSA-N.

Chemical Info

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-BML01540
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:05.277390
MetadataModified 2024-01-11T22:28:05.446129
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4368017 eMolecules
MCULE-4045656886 Mcule
ZINC000000058106 ZINC
SCHEMBL7116196 SureChEMBL
689007 PubChem
The data in this table is sourced from UniChem at EBI.