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2-Methyl-4-nitro-3-phenyl-butyric acid, methyl ester
SpectraBase Compound ID AoxIq8MyZJt
InChI InChI=1S/C12H15NO4/c1-9(12(14)17-2)11(8-13(15)16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey FIPWMWABRFDZAV-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 22NzszILga3
Name 2-Methyl-4-nitro-3-phenyl-butyric acid, methyl ester
CAS Registry Number 252036-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-9(12(14)17-2)11(8-13(15)16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey FIPWMWABRFDZAV-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES c1ccc(cc1)C(CN(=O)=O)C(C)C(=O)OC
SPLASH splash10-003u-5900000000-fa2dcb2c0e200417ed68
Synonyms 2-Methyl-4-nitro-3-phenylbutanoic acid methyl ester Methyl 2-methyl-4-nitro-3-phenyl-butanoate Methyl 2-methyl-4-nitro-3-phenylbutanoate
Wiley ID 1481126