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4-(2-Nitro-phenyl)-acetoacetic acid, ethyl ester
SpectraBase Compound ID 3Bqe4VeIb
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey NEVSSHAHYYYAKX-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 5bP4dlotaXl
Name 3-keto-4-(2-nitrophenyl)butyric acid ethyl ester
CAS Registry Number 66073-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey NEVSSHAHYYYAKX-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES c1(N(=O)=O)c(CC(CC(=O)OCC)=O)cccc1
SPLASH splash10-01dr-6900000000-956a8b204bf6cec4a484
Source of Spectrum KC-1990-676-3
Synonyms 4-(2-nitrophenyl)-3-oxobutanoic acid ethyl ester Ethyl 4-(2-nitrophenyl)-3-oxidanylidene-butanoate Ethyl 4-(2-nitrophenyl)-3-oxo-butanoate Ethyl 4-(2-nitrophenyl)acetoacetate
Wiley ID 1254398