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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 EKipRf7D8T1
Name 3-METHYL-4-NITRO-2-PHENYLBUTYRIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 237.0997
SMILES COC(=O)C(c1ccccc1)C(C)CN(=O)=O
SPLASH splash10-05uu-4900000000-eb7cbc600a0897530f5a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany