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N-Benzoyl-(S)-4-methylphenylalanine

View entire compound with spectra: 1 MS (GC)

N-Benzoyl-(S)-4-methylphenylalanine
SpectraBase Compound ID HncABw0hSud
InChI InChI=1S/C17H17NO3/c1-12-7-9-13(10-8-12)11-15(17(20)21)18-16(19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKey MXGOHDJVYSIDRO-HNNXBMFYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LOqlg1adpv
Name N-Benzoyl-(S)-4-methylphenylalanine
Alternate Name(s) (2S)-2-(benzoylamino)-3-(4-methylphenyl)propanoic acid (2S)-2-benzamido-3-(p-tolyl)propanoic acid (2S)-2-benzamido-3-(4-methylphenyl)propanoic acid
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Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-12-7-9-13(10-8-12)11-15(17(20)21)18-16(19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKey MXGOHDJVYSIDRO-HNNXBMFYSA-N
Molecular Weight 283.327 g/mol
SMILES N([C@](C(=O)O)(Cc1ccc(cc1)C)[H])C(c1ccccc1)=O
SPLASH splash10-0bt9-1900000000-99cbb80389e5f2da009d
Source of Spectrum Y1-31-854-3
Wiley ID 1525888