For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 2-(4-nitrobenzoyl)-3-oxobutanoate
SpectraBase Compound ID 5g1sR5auK12
InChI InChI=1S/C12H11NO6/c1-7(14)10(12(16)19-2)11(15)8-3-5-9(6-4-8)13(17)18/h3-6,10H,1-2H3
InChIKey YGDLFBJAHFIVJP-UHFFFAOYSA-N
Mol Weight 265.22 g/mol
Molecular Formula C12H11NO6
Exact Mass 265.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K8LCQnv4RQx
Name Methyl 2-(4-nitrobenzoyl)-3-oxobutanoate
Alternate Name(s) 2-[(4-nitrophenyl)-oxomethyl]-3-oxobutanoic acid methyl ester 3-keto-2-(4-nitrobenzoyl)butyric acid methyl ester Butanoic acid, 2-(4-nitrobenzoyl)-3-oxo-, methyl ester Methyl 2-(4-nitrophenyl)carbonyl-3-oxidanylidene-butanoate
CAS Registry Number 85963-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO6
InChI InChI=1S/C12H11NO6/c1-7(14)10(12(16)19-2)11(15)8-3-5-9(6-4-8)13(17)18/h3-6,10H,1-2H3
InChIKey YGDLFBJAHFIVJP-UHFFFAOYSA-N
Molecular Weight 265.221 g/mol
SMILES COC(C(C(c1ccc(N(=O)=O)cc1)=O)C(=O)C)=O
SPLASH splash10-0udl-9400000000-a7940dc3b588bf1c26ce
Source of Spectrum AD-0-2532-0
Wiley ID 1419708