Dataset

6-Ethoxy-3(4'-hydroxyphenyl)-4-methylcoumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01748 contains the MS2 mass spectrum of 6-Ethoxy-3(4'-hydroxyphenyl)-4-methylcoumarin with the InChIkey MOBDZHABRVPJCH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O4/c1-3-21-14-8-9-16-15(10-14)11(2)17(18(20)22-16)12-4-6-13(19)7-5-12/h4-10,19H,3H2,1-2H3
SMILES CCOC1=CC2=C(C=C1)OC(=O)C(=C2C)C3=CC=C(C=C3)O
InChI Key MOBDZHABRVPJCH-UHFFFAOYSA-N
Molecular Formula C18H16O4
Exact Mass 296.105 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-BML01748
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:13.568105
MetadataModified 2024-01-11T22:27:13.726299
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4368209 eMolecules
SCHEMBL4749831 SureChEMBL
MCULE-6063001849 Mcule
ZINC000000057834 ZINC
688788 PubChem
The data in this table is sourced from UniChem at EBI.