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Benzeneacetic acid, .alpha.-acetyl-4-nitro-, ethyl ester
SpectraBase Compound ID A7nX4ZHdAj1
InChI InChI=1S/C12H13NO5/c1-3-18-12(15)11(8(2)14)9-4-6-10(7-5-9)13(16)17/h4-7,11H,3H2,1-2H3
InChIKey CWLKTUNTDCJRIJ-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfpwEh7AGeh
Name Benzeneacetic acid, .alpha.-acetyl-4-nitro-, ethyl ester
CAS Registry Number 10565-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-3-18-12(15)11(8(2)14)9-4-6-10(7-5-9)13(16)17/h4-7,11H,3H2,1-2H3
InChIKey CWLKTUNTDCJRIJ-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES CCOC(C(c1ccc(cc1)N(=O)=O)C(C)=O)=O
SPLASH splash10-004i-9600000000-3fad09afe7eac15daa1e
Source of Spectrum AD-0-5914-0
Synonyms Ethyl 2-(4-nitrophenyl)-3-oxobutanoate 2-(4-nitrophenyl)-3-oxobutanoic acid ethyl ester 3-keto-2-(4-nitrophenyl)butyric acid ethyl ester Acetoacetic acid, 2-(p-nitrophenyl)-, ethyl ester Ethyl 2-(4-nitrophenyl)-3-oxidanylidene-butanoate
Wiley ID 35285