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METHYL-(2S,4R)-N-[(2S)-PROLYL]-4-(ACETYLTHIO)-PROLINATE-TRIFLUOROACETATE
SpectraBase Compound ID J5LCJl1Ta8C
InChI InChI=1S/C13H20N2O4S.C2HF3O2/c1-8(16)20-9-6-11(13(18)19-2)15(7-9)12(17)10-4-3-5-14-10;3-2(4,5)1(6)7/h9-11,14H,3-7H2,1-2H3;(H,6,7)/t9-,10-,11-;/m0./s1
InChIKey SDODIZAZOROHDS-AELSBENASA-N
Mol Weight 414.4 g/mol
Molecular Formula C15H21F3N2O6S
Exact Mass 414.107242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uWvXMlQ4fz
Name METHYL-(2S,4R)-N-[(2S)-PROLYL]-4-(ACETYLTHIO)-PROLINATE-TRIFLUOROACETATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21F3N2O6S
InChI InChI=1S/C13H20N2O4S.C2HF3O2/c1-8(16)20-9-6-11(13(18)19-2)15(7-9)12(17)10-4-3-5-14-10;3-2(4,5)1(6)7/h9-11,14H,3-7H2,1-2H3;(H,6,7)/t9-,10-,11-;/m0./s1
InChIKey SDODIZAZOROHDS-AELSBENASA-N
Literature Reference Author A.LEWIS,J.WILKIE,T.J.RUTHERFORD,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3777(1998)
Literature Reference DOI 10.1039/a806030d
Molecular Weight 414.397 g/mol
Solvent CDCl3
Source File Reference UWCP9334