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2-keto-5-methyl-5-phenyl-furan-3-carboxylic acid methyl ester
SpectraBase Compound ID D7BJhNDGA3r
InChI InChI=1S/C13H12O4/c1-13(9-6-4-3-5-7-9)8-10(11(14)16-2)12(15)17-13/h3-8H,1-2H3
InChIKey NNGRXHBOOLAXCB-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJf1aSHFeIf
Name 2-keto-5-methyl-5-phenyl-furan-3-carboxylic acid methyl ester
CAS Registry Number 67498-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-13(9-6-4-3-5-7-9)8-10(11(14)16-2)12(15)17-13/h3-8H,1-2H3
InChIKey NNGRXHBOOLAXCB-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C=1(C(OC(C1)(c1ccccc1)C)=O)C(=O)OC
SPLASH splash10-054x-8910000000-a913e3fb8ca90ddbc5ba
Source of Spectrum AN-87-219-0
Synonyms 5-Methyl-2-oxo-5-phenyl-3-furancarboxylic acid methyl ester Methyl 5-methyl-2-oxidanylidene-5-phenyl-furan-3-carboxylate Methyl 5-methyl-2-oxo-5-phenyl-furan-3-carboxylate
Wiley ID 1233699