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Acetoacetic acid, 2-(2,4-dinitrophenyl)-, ethyl ester
SpectraBase Compound ID A69ugYRDhXI
InChI InChI=1S/C12H12N2O7/c1-3-21-12(16)11(7(2)15)9-5-4-8(13(17)18)6-10(9)14(19)20/h4-6,11H,3H2,1-2H3
InChIKey KUXDAXQUXQMFED-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C12H12N2O7
Exact Mass 296.064451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i38VfD7oqU
Name Acetoacetic acid, 2-(2,4-dinitrophenyl)-, ethyl ester
CAS Registry Number 5465-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O7
InChI InChI=1S/C12H12N2O7/c1-3-21-12(16)11(7(2)15)9-5-4-8(13(17)18)6-10(9)14(19)20/h4-6,11H,3H2,1-2H3
InChIKey KUXDAXQUXQMFED-UHFFFAOYSA-N
Molecular Weight 296.235 g/mol
SMILES CC(C(C(=O)OCC)c1c(N(=O)=O)cc(N(=O)=O)cc1)=O
SPLASH splash10-0006-9110000000-5bd868108df289149251
Source of Spectrum AD-0-5916-0
Synonyms Ethyl 2-(2,4-dinitrophenyl)-3-oxobutanoate 2-(2,4-dinitrophenyl)-3-keto-butyric acid ethyl ester 2-(2,4-dinitrophenyl)-3-oxobutanoic acid ethyl ester Benzeneacetic acid, .alpha.-acetyl-2,4-dinitro-, ethyl ester Ethyl 2-(2,4-dinitrophenyl)-3-oxidanylidene-butanoate
Wiley ID 43645