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4-keto-2-methyl-chromene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 1my6T4Wk2rJ
InChI InChI=1S/C13H12O4/c1-3-16-13(15)11-8(2)17-10-7-5-4-6-9(10)12(11)14/h4-7H,3H2,1-2H3
InChIKey KBTZREOELHQMNO-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 5yxZaFj4IVt
Name 4H-1-Benzopyran-3-carboxylic acid, 2-methyl-4-oxo-, ethyl ester
Alternate Name(s) 2-Methyl-4-oxo-1-benzopyran-3-carboxylic acid ethyl ester 4-keto-2-methyl-chromene-3-carboxylic acid ethyl ester Ethyl 2-methyl-4-oxidanylidene-chromene-3-carboxylate Ethyl 2-methyl-4-oxo-4H-chromene-3-carboxylate Ethyl 2-methyl-4-oxo-chromene-3-carboxylate
CAS Registry Number 74555-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-3-16-13(15)11-8(2)17-10-7-5-4-6-9(10)12(11)14/h4-7H,3H2,1-2H3
InChIKey KBTZREOELHQMNO-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C=1(C(c2ccccc2OC1C)=O)C(=O)OCC
SPLASH splash10-0229-0900000000-1cd47d3eb967927cac7d
Source of Spectrum Y-17-594-0
Wiley ID 1233705