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2-Methyl-4-nitro-3-phenylbutyric acid, t-butyl ester
SpectraBase Compound ID IKJU5UAa3tl
InChI InChI=1S/C15H21NO4/c1-11(14(17)20-15(2,3)4)13(10-16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey XOWDXNPRZCDUGN-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQjtq2B4FAb
Name 2-Methyl-4-nitro-3-phenylbutyric acid, t-butyl ester
Alternate Name(s) 2-Methyl-4-nitro-3-phenyl-butyric acid tert-butyl ester 2-Methyl-4-nitro-3-phenylbutanoic acid tert-butyl ester tert-Butyl 2-methyl-4-nitro-3-phenyl-butanoate
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Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-11(14(17)20-15(2,3)4)13(10-16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey XOWDXNPRZCDUGN-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES CC(C(CN(=O)=O)c1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-0a6r-7900000000-8c8132d6b2943f3f5bcf
Wiley ID 1488534