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Butanoic acid, 4-(4-nitrophenyl)-3-oxo-, ethyl ester
SpectraBase Compound ID 77PpzWOYbCi
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-11(14)7-9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey UUTYXRRHMODSGX-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 LYuJ6vHYubq
Name Butanoic acid, 4-(4-nitrophenyl)-3-oxo-, ethyl ester
CAS Registry Number 62088-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-2-18-12(15)8-11(14)7-9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey UUTYXRRHMODSGX-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES c1(N(=O)=O)ccc(cc1)CC(=O)CC(=O)OCC
SPLASH splash10-000l-9610000000-5f37433fc485dfaefa21
Synonyms 3-keto-4-(4-nitrophenyl)butyric acid ethyl ester 4-(4-nitrophenyl)-3-oxobutanoic acid ethyl ester Ethyl 4-(4-nitrophenyl)-3-oxidanylidene-butanoate Ethyl 4-(4-nitrophenyl)-3-oxo-butanoate
Wiley ID 1477337