Dataset

3-(5-Acetyl-2-furyl)-5-methoxy-2-benzofuran-1(3H)-one; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00363 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 Information

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-FIO00363
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(5-acetylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL37673 ChEMBL
    44284501 PubChem
    The data in this table is sourced from UniChem at EBI.