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(1R,2S)-3-Phenyl-2-[1-(4-trifluoromethylphenyl)ethylamino]propionic acid methyl ester
SpectraBase Compound ID ELkQTjxaniq
InChI InChI=1S/C19H20F3NO2/c1-13(15-8-10-16(11-9-15)19(20,21)22)23-17(18(24)25-2)12-14-6-4-3-5-7-14/h3-11,13,17,23H,12H2,1-2H3/t13-,17+/m1/s1
InChIKey CVEBEGAOWLUHDX-DYVFJYSZSA-N
Mol Weight 351.37 g/mol
Molecular Formula C19H20F3NO2
Exact Mass 351.144613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJuCfDZoA1y
Name (1R,2S)-3-Phenyl-2-[1-(4-trifluoromethylphenyl)ethylamino]propionic acid methyl ester
Alternate Name(s) Methyl (2S)-3-phenyl-2-({(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}amino)propanoate
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Formula C19H20F3NO2
InChI InChI=1S/C19H20F3NO2/c1-13(15-8-10-16(11-9-15)19(20,21)22)23-17(18(24)25-2)12-14-6-4-3-5-7-14/h3-11,13,17,23H,12H2,1-2H3/t13-,17+/m1/s1
InChIKey CVEBEGAOWLUHDX-DYVFJYSZSA-N
Molecular Weight 351.369 g/mol
SMILES N([C@@](c1ccc(C(F)(F)F)cc1)(C)[H])[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0229-0980000000-e5d0d15bcc9c0e65967e
Source of Spectrum KC-61-1284-4
Wiley ID 1627523