Dataset

4,6-Dimethyl-3(4'-hydroxyphenyl)coumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80397 contains the MS mass spectrum of 4,6-Dimethyl-3(4'-hydroxyphenyl)coumarin with the InChIkey VHDNSQUTVWULEW-UHFFFAOYSA-N.

Chemical Info

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-BML80397
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:43.372940
MetadataModified 2024-01-11T22:27:43.534605
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4368185 eMolecules
CHEMBL1554901 ChEMBL
688791 PubChem
ZINC000000057837 ZINC
MCULE-7009983417 Mcule
The data in this table is sourced from UniChem at EBI.