Dataset

6,8-Dimethyl-4-hydroxycoumarin

This MassBank record with Accession MSBNK-BS-BS003287 contains the MS mass spectrum of 6,8-Dimethyl-4-hydroxycoumarin with the InChIkey HVHIQQVTLCUBKA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10O3/c1-6-3-7(2)11-8(4-6)9(12)5-10(13)14-11/h3-5,12H,1-2H3
SMILES C(C=1C(=C(C([H])([H])[H])C=2OC(=O)C(=C(O[H])C2C1[H])[H])[H])([H])([H])[H]
InChI Key HVHIQQVTLCUBKA-UHFFFAOYSA-N
Molecular Formula C11H10O3
Exact Mass 190.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003287
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:12.536389
MetadataModified 2024-01-11T12:36:12.681425
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7062071512 Mcule
54710971 PubChem
ZINC000002573999 ZINC
DTXSID90716148 EPA CompTox Dashboard
31256598 eMolecules
SCHEMBL5138113 SureChEMBL
MolPort-007-994-541 MolPort
The data in this table is sourced from UniChem at EBI.