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Acetic acid, 3-formyl-4-oxo-4H-1-benzopyran-6-yl ester
SpectraBase Compound ID BjTUdXWKxZW
InChI InChI=1S/C12H8O5/c1-7(14)17-9-2-3-11-10(4-9)12(15)8(5-13)6-16-11/h2-6H,1H3
InChIKey LEBXNPPDAKBRIZ-UHFFFAOYSA-N
Mol Weight 232.19 g/mol
Molecular Formula C12H8O5
Exact Mass 232.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80umigg1Rku
Name Acetic acid, 3-formyl-4-oxo-4H-1-benzopyran-6-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O5
InChI InChI=1S/C12H8O5/c1-7(14)17-9-2-3-11-10(4-9)12(15)8(5-13)6-16-11/h2-6H,1H3
InChIKey LEBXNPPDAKBRIZ-UHFFFAOYSA-N
Molecular Weight 232.191 g/mol
SMILES C1(c2c(ccc(c2)OC(=O)C)OC=C1C=O)=O
SPLASH splash10-0gvo-9410000000-a35efff7f6dd8d51a834
Source of Spectrum IY-1-4385-0
Synonyms Acetic acid (3-formyl-4-oxo-1-benzopyran-6-yl) ester (3-formyl-4-oxochromen-6-yl) acetate (3-formyl-4-oxo-chromen-6-yl) acetate (3-methanoyl-4-oxidanylidene-chromen-6-yl) ethanoate
Wiley ID 1651833