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4-nitro-3-phenyl-butyric acid methyl ester
SpectraBase Compound ID LqzcsU32YXe
InChI InChI=1S/C11H13NO4/c1-16-11(13)7-10(8-12(14)15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey ZJFQGMLHRHGKEV-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 257hLMJ31j0
Name Methyl 4-nitro-3-phenylbutanoate
Alternate Name(s) 4-Nitro-3-phenylbutanoic acid methyl ester Methyl 4-nitro-3-phenyl-butanoate
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Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-16-11(13)7-10(8-12(14)15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey ZJFQGMLHRHGKEV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800117
Molecular Weight 223.228 g/mol
SMILES C(CC(C[N+](=O)[O-])c1ccccc1)(=O)OC
SPLASH splash10-014i-0900000000-907d1d34eb33429f96c9
Source of Spectrum ASC-350-1218/SM17-11a
Wiley ID 1766383