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METHYL-N-TRIFLUOROACETYL-3-PHENYLFLUOROMETHYLTHIO-2-AMINO-PROPANOATE;ISOMER-#A
SpectraBase Compound ID IDu04CVs2IA
InChI InChI=1S/C13H13F4NO3S/c1-21-11(19)9(18-12(20)13(15,16)17)7-22-10(14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,18,20)
InChIKey ASIPPKODTKROIN-UHFFFAOYSA-N
Mol Weight 339.3 g/mol
Molecular Formula C13H13F4NO3S
Exact Mass 339.055227 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiSnhuUmf9C
Name METHYL-N-TRIFLUOROACETYL-3-PHENYLFLUOROMETHYLTHIO-2-AMINO-PROPANOATE;ISOMER-#B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F4NO3S
InChI InChI=1S/C13H13F4NO3S/c1-21-11(19)9(18-12(20)13(15,16)17)7-22-10(14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,18,20)
InChIKey ASIPPKODTKROIN-UHFFFAOYSA-N
Literature Reference Author X.HUANG,B.J.BLACKBURN,S.C.F.AU-YEUNG,A.F.JANZEN
Literature Reference Citation CAN.J.CHEM.,68,477(1990)
Literature Reference DOI 10.1139/v90-072
Solvent CD3CN
Source File Reference UWCS17775