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N-[2',5'-Dimethylphenyl]-L-valine
SpectraBase Compound ID 8BI8RaFW1z0
InChI InChI=1S/C13H19NO2/c1-8(2)12(13(15)16)14-11-7-9(3)5-6-10(11)4/h5-8,12,14H,1-4H3,(H,15,16)/t12-/m0/s1
InChIKey HQNSXFSUKMDYHS-LBPRGKRZSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVlpikfr1y2
Name N-[2',5'-Dimethylphenyl]-L-valine
Alternate Name(s) (2S)-2-(2,5-dimethylanilino)-3-methylbutanoic acid (2S)-2-(2,5-dimethylanilino)-3-methyl-butanoic acid (2S)-2-[(2,5-dimethylphenyl)amino]-3-methyl-butanoic acid
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-8(2)12(13(15)16)14-11-7-9(3)5-6-10(11)4/h5-8,12,14H,1-4H3,(H,15,16)/t12-/m0/s1
InChIKey HQNSXFSUKMDYHS-LBPRGKRZSA-N
Molecular Weight 221.300 g/mol
SMILES N(c1c(ccc(c1)C)C)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-00ba-4930000000-eaa48fb9649be5a8bb12
Source of Spectrum C-120-12465-16
Wiley ID 1699954