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2-[(BENZOYLOXYCARBONYL)-AMINO]-2-[(4-METHYLPHENYL)-SULFENYL]-3,3,3-TRIFLUOROPROPANAL
SpectraBase Compound ID 4XzumKCQVGP
InChI InChI=1S/C18H16F3NO3S/c1-13-7-9-15(10-8-13)26-17(12-23,18(19,20)21)22-16(24)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKey AQESYUSLGHYKHF-QGZVFWFLSA-N
Mol Weight 383.39 g/mol
Molecular Formula C18H16F3NO3S
Exact Mass 383.080299 g/mol
Enantiomer InChIKey AQESYUSLGHYKHF-KRWDZBQOSA-N
Racemate InChIKey AQESYUSLGHYKHF-UHFFFAOYSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-62-8039-2
  • (phenylmethyl) N-[(2R)-1,1,1-tris(fluoranyl)-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-propan-2-yl]carbamate
  • benzyl N-[(1R)-2,2,2-trifluoro-1-formyl-1-(p-tolylsulfanyl)ethyl]carbamate
  • benzyl N-[(2R)-1,1,1-trifluoro-2-(4-methylphenyl)sulfanyl-3-oxopropan-2-yl]carbamate
  • N-[(1R)-2,2,2-trifluoro-1-formyl-1-(p-tolylthio)ethyl]carbamic acid benzyl ester
  • N-[(2R)-1,1,1-trifluoro-2-[(4-methylphenyl)thio]-3-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
Title Journal or Book Year
(R)-Trifluoro- and Difluoropyruvaldehyde N,S-Ketals:  Chiral Synthetic Equivalents of β-Trifluoro and β-Difluoro α-Amino Aldehydes The Journal of Organic Chemistry 1998
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