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Benzenebutanoic acid, .alpha.-methyl-3-nitro-.gamma.-oxo-
SpectraBase Compound ID F8EtmYpFk7Q
InChI InChI=1S/C11H11NO5/c1-7(11(14)15)5-10(13)8-3-2-4-9(6-8)12(16)17/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKey USRRVEPWXBCMKZ-UHFFFAOYSA-N
Mol Weight 237.21 g/mol
Molecular Formula C11H11NO5
Exact Mass 237.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVDTpMNnqvv
Name Benzenebutanoic acid, .alpha.-methyl-3-nitro-.gamma.-oxo-
CAS Registry Number 34243-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO5
InChI InChI=1S/C11H11NO5/c1-7(11(14)15)5-10(13)8-3-2-4-9(6-8)12(16)17/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKey USRRVEPWXBCMKZ-UHFFFAOYSA-N
Molecular Weight 237.211 g/mol
SMILES OC(C(C)CC(c1cccc(c1)N(=O)=O)=O)=O
SPLASH splash10-0udi-2900000000-afd46e6901114dcea82b
Source of Spectrum OS-5-416-0
Synonyms 2-Methyl-4-(3-nitrophenyl)-4-oxobutanoic acid .beta.(3-Nitrobenzoyl)-.alpha.-methylpropionic acid 2-Methyl-4-(3-nitrophenyl)-4-oxidanylidene-butanoic acid 3-(m-Nitrobenzoyl)-2-methylpropanoic acid 4-keto-2-methyl-4-(3-nitrophenyl)butyric acid Propionic acid, 2-methyl-3-(m-nitrobenzoyl)-
Wiley ID 1239348