Dataset

7-chloro-4-methyl-2-oxochromen-6-yl propanoate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80600 contains the MS mass spectrum of 7-chloro-4-methyl-2-oxochromen-6-yl propanoate with the InChIkey GFMFCUGMHTWVTG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H11ClO4/c1-3-12(15)18-11-5-8-7(2)4-13(16)17-10(8)6-9(11)14/h4-6H,3H2,1-2H3
SMILES CCC(=O)OC1=C(C=C2C(=C1)C(=CC(=O)O2)C)Cl
InChI Key GFMFCUGMHTWVTG-UHFFFAOYSA-N
Molecular Formula C13H11ClO4
Exact Mass 266.035 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-BML80600
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:29:00.591665
MetadataModified 2024-01-11T22:29:00.794610
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6776726 eMolecules
673993 PubChem
MCULE-8820235869 Mcule
ZINC000000036224 ZINC
The data in this table is sourced from UniChem at EBI.