Dataset

3(2',4'-Dichlorophenyl)-4-phenylcoumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80280 contains the MS mass spectrum of 3(2',4'-Dichlorophenyl)-4-phenylcoumarin with the InChIkey VDYVENFAJIUXMK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H12Cl2O2/c22-14-10-11-15(17(23)12-14)20-19(13-6-2-1-3-7-13)16-8-4-5-9-18(16)25-21(20)24/h1-12H
SMILES C1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
InChI Key VDYVENFAJIUXMK-UHFFFAOYSA-N
Molecular Formula C21H12Cl2O2
Exact Mass 366.021 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-BML80280
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:20:40.174351
MetadataModified 2025-02-09T20:04:14.168393
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4368145 eMolecules
ZINC000002529946 ZINC
MCULE-1740431348 Mcule
SCHEMBL7122395 SureChEMBL
4035504 PubChem
The data in this table is sourced from UniChem at EBI.