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4,6-dimethyl-2-oxo-2H-pyran-5-carboxylic acid, ethyl ester
SpectraBase Compound ID 3UeSg7JLJ0U
InChI InChI=1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
InChIKey FBPWNVQUVXSXKS-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7EmkEgXYSy
Name 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester
Alternate Name(s) 2,4-Dimethyl-6-oxo-3-pyrancarboxylic acid ethyl ester 6-keto-2,4-dimethyl-pyran-3-carboxylic acid ethyl ester Ethyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Ethyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate Ethyl 4,6-dimethyl-2-pyrone-5-carboxylate Ethyl 4,6-dimethyl-5-coumalate Ethyl isodehydracetate Ethyl isodehydroacetate AI3-05575 EINECS 222-195-3
CAS Registry Number 3385-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
InChIKey FBPWNVQUVXSXKS-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES CCOC(=O)C=1C(C)=CC(=O)OC1C
SPLASH splash10-0fdo-5900000000-88c7a7619f320634e13e
Source of Spectrum AA-0-1367-2
Wiley ID 22253