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METHYL-(2S,4S)-4-(ACETYLTHIO)-PROLINATE-TRIFLUOROACETATE

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METHYL-(2S,4S)-4-(ACETYLTHIO)-PROLINATE-TRIFLUOROACETATE
SpectraBase Compound ID 1tZ2DwswVIj
InChI InChI=1S/C8H13NO3S.C2HF3O2/c1-5(10)13-6-3-7(9-4-6)8(11)12-2;3-2(4,5)1(6)7/h6-7,9H,3-4H2,1-2H3;(H,6,7)/t6-,7-;/m0./s1
InChIKey IWAFGKOEYGZKEW-LEUCUCNGSA-N
Mol Weight 317.28 g/mol
Molecular Formula C10H14F3NO5S
Exact Mass 317.054478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Weo64y426y
Name METHYL-(2S,4S)-4-(ACETYLTHIO)-PROLINATE-TRIFLUOROACETATE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14F3NO5S
InChI InChI=1S/C8H13NO3S.C2HF3O2/c1-5(10)13-6-3-7(9-4-6)8(11)12-2;3-2(4,5)1(6)7/h6-7,9H,3-4H2,1-2H3;(H,6,7)/t6-,7-;/m0./s1
InChIKey IWAFGKOEYGZKEW-LEUCUCNGSA-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 317.280 g/mol
Solvent CDCl3
Source File Reference UWCP9349