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3-Methyl-4-nitro-2-phenyl-butyric acid, methyl ester

View entire compound with spectra: 2 MS (GC)

3-Methyl-4-nitro-2-phenyl-butyric acid, methyl ester
SpectraBase Compound ID 9AyLWxwP4Bk
InChI InChI=1S/C12H15NO4/c1-9(8-13(15)16)11(12(14)17-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey IVCDLMNWAGMOMY-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FY1f35x1d2W
Name 3-Methyl-4-nitro-2-phenyl-butyric acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-9(8-13(15)16)11(12(14)17-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey IVCDLMNWAGMOMY-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES c1cccc(C(C(OC)=O)C(CN(=O)=O)C)c1
SPLASH splash10-05uu-4900000000-4548657ced3b430cc861
Synonyms 3-Methyl-4-nitro-2-phenylbutanoic acid methyl ester Methyl 3-methyl-4-nitro-2-phenyl-butanoate Methyl 3-methyl-4-nitro-2-phenylbutanoate
Wiley ID 1481123