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(S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-pentanoic acid tert-butyl ester
SpectraBase Compound ID 39EFa4V6Wnq
InChI InChI=1S/C15H25F3N2O3/c1-5-7-10(11(21)23-13(2,3)4)20-12(22)14(15(16,17)18)8-6-9-19-14/h10,19H,5-9H2,1-4H3,(H,20,22)/t10-,14-/m0/s1
InChIKey KLPUKSFGEILOSH-HZMBPMFUSA-N
Mol Weight 338.37 g/mol
Molecular Formula C15H25F3N2O3
Exact Mass 338.181727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4t18Ucz1Qn
Name (S)-2-[((S)-2-Trifluoromethyl-pyrrolidine-2-carbonyl)-amino]-pentanoic acid tert-butyl ester
Alternate Name(s) N-[1'-(t-Butoxycarbonyl)but-1'-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide [S]-.alpha.-Trifluoromethyl-Proline-L-Valine-O-t-Butyl
Comments Less than 3 mono-isotopic peaks
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Formula C15H25F3N2O3
InChI InChI=1S/C15H25F3N2O3/c1-5-7-10(11(21)23-13(2,3)4)20-12(22)14(15(16,17)18)8-6-9-19-14/h10,19H,5-9H2,1-4H3,(H,20,22)/t10-,14-/m0/s1
InChIKey KLPUKSFGEILOSH-HZMBPMFUSA-N
Molecular Weight 338.371 g/mol
SMILES N(C([C@@]1(C(F)(F)F)NCCC1)=O)[C@](C(OC(C)(C)C)=O)(CCC)[H]
SPLASH splash10-000i-0902000000-17f1e6e64079810bfc7d
Source of Spectrum U1-2009-5721-(S,S)-4
Wiley ID 1697291