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(S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-propionic acid benzyl ester
SpectraBase Compound ID B0U3k4NqvXU
InChI InChI=1S/C16H19F3N2O3/c1-11(13(22)24-10-12-6-3-2-4-7-12)21-14(23)15(16(17,18)19)8-5-9-20-15/h2-4,6-7,11,20H,5,8-10H2,1H3,(H,21,23)/t11-,15-/m0/s1
InChIKey HRBBMOPFTAXTCN-NHYWBVRUSA-N
Mol Weight 344.33 g/mol
Molecular Formula C16H19F3N2O3
Exact Mass 344.134777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHmNOGdeZQR
Name (S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-propionic acid benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H19F3N2O3
InChI InChI=1S/C16H19F3N2O3/c1-11(13(22)24-10-12-6-3-2-4-7-12)21-14(23)15(16(17,18)19)8-5-9-20-15/h2-4,6-7,11,20H,5,8-10H2,1H3,(H,21,23)/t11-,15-/m0/s1
InChIKey HRBBMOPFTAXTCN-NHYWBVRUSA-N
Molecular Weight 344.334 g/mol
SMILES N(C([C@@]1(C(F)(F)F)NCCC1)=O)[C@](C(OCc1ccccc1)=O)(C)[H]
SPLASH splash10-000i-0903000000-fa6aaedf4e20f9d6c61d
Source of Spectrum U1-2009-5721-(R,S)-2
Synonyms N-[1'-(Benzyloxycarbonyl)ethyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide [R]-.alpha.-Trifluoromethyl-Proline-L-Alanine-O-Benzyl (2S)-2-[[oxo-[(2S)-2-(trifluoromethyl)-2-pyrrolidinyl]methyl]amino]propanoic acid (phenylmethyl) ester benzyl (2S)-2-[[(2S)-2-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]propanoate (phenylmethyl) (2S)-2-[[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]carbonylamino]propanoate
Wiley ID 1697292