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DITHIOCARBONIC-ACID-O-PHENETHYLESTER-S-(3,3,3-TRIFLUORO-1-[[(4-FLUOROPHENYL)-METHANESULFONYLAMINO]-METHYL]-PROPYL)-ESTER
SpectraBase Compound ID GOsWD3uHb3
InChI InChI=1S/C20H21F4NO3S3/c1-31(26,27)25(17-9-7-16(21)8-10-17)14-18(13-20(22,23)24)30-19(29)28-12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKey YFYBOZINWYBKOC-UHFFFAOYSA-N
Mol Weight 495.57 g/mol
Molecular Formula C20H21F4NO3S3
Exact Mass 495.06197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CQUlnEVccg
Name DITHIOCARBONIC-ACID-O-PHENETHYLESTER-S-(3,3,3-TRIFLUORO-1-[[(4-FLUOROPHENYL)-METHANESULFONYLAMINO]-METHYL]-PROPYL)-ESTER
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21F4NO3S3
InChI InChI=1S/C20H21F4NO3S3/c1-31(26,27)25(17-9-7-16(21)8-10-17)14-18(13-20(22,23)24)30-19(29)28-12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKey YFYBOZINWYBKOC-UHFFFAOYSA-N
Literature Reference Author F.BERTRAND,V.PEVERE,B.QUICLET-SIRE,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,3,1069(2001)
Literature Reference DOI 10.1021/ol0156446
Molecular Weight 495.565 g/mol
Solvent CDCl3
Source File Reference UWVN32592