Dataset

3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one

This MassBank record with Accession MSBNK-Fiocruz-FIO00362 contains the MS2 mass spectrum of 3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one with the InChIkey KTVRYSLCSNORPS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O5/c1-8(16)12-5-6-13(19-12)14-11-7-9(18-2)3-4-10(11)15(17)20-14/h3-7,14H,1-2H3
SMILES COc(c3)cc(c(c3)2)C(OC(=O)2)c(c1)oc(C(C)=O)c1
InChI Key KTVRYSLCSNORPS-UHFFFAOYSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00362
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:43:19.924239
MetadataModified 2024-01-11T16:43:20.087901
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44284501 PubChem
CHEMBL37673 ChEMBL
The data in this table is sourced from UniChem at EBI.