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N-[2'-(Hydroxymethyl)phenyl]-L-valine
SpectraBase Compound ID HhOTBsxhHF7
InChI InChI=1S/C12H17NO3/c1-8(2)11(12(15)16)13-10-6-4-3-5-9(10)7-14/h3-6,8,11,13-14H,7H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKey OWRKXNOLABOXRA-NSHDSACASA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c9qJp6MzgI
Name N-[2'-(Hydroxymethyl)phenyl]-L-valine
Alternate Name(s) (2S)-2-[2-(hydroxymethyl)anilino]-3-methylbutanoic acid (2S)-2-[2-(hydroxymethyl)anilino]-3-methyl-butanoic acid (2S)-2-[[2-(hydroxymethyl)phenyl]amino]-3-methyl-butanoic acid
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Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-8(2)11(12(15)16)13-10-6-4-3-5-9(10)7-14/h3-6,8,11,13-14H,7H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKey OWRKXNOLABOXRA-NSHDSACASA-N
Molecular Weight 223.272 g/mol
SMILES N([C@](C(=O)O)(C(C)C)[H])c1c(CO)cccc1
SPLASH splash10-0a4i-4290000000-30f478a885905e6e3dea
Source of Spectrum C-120-12465-26
Wiley ID 1699949