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ACETIC-ACID-12,12,12-TRIFLUORO-10-PHENETHYLOXY-THIOCARBONYLSULFANYL-DODECYLESTER

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ACETIC-ACID-12,12,12-TRIFLUORO-10-PHENETHYLOXY-THIOCARBONYLSULFANYL-DODECYLESTER
SpectraBase Compound ID K7SS7PZoOeC
InChI InChI=1S/C23H33F3O3S2/c1-19(27)28-16-11-6-4-2-3-5-10-14-21(18-23(24,25)26)31-22(30)29-17-15-20-12-8-7-9-13-20/h7-9,12-13,21H,2-6,10-11,14-18H2,1H3
InChIKey PXAHEHZHNZNTPJ-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C23H33F3O3S2
Exact Mass 478.182322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ks0lDgxsl9
Name ACETIC-ACID-12,12,12-TRIFLUORO-10-PHENETHYLOXY-THIOCARBONYLSULFANYL-DODECYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H33F3O3S2
InChI InChI=1S/C23H33F3O3S2/c1-19(27)28-16-11-6-4-2-3-5-10-14-21(18-23(24,25)26)31-22(30)29-17-15-20-12-8-7-9-13-20/h7-9,12-13,21H,2-6,10-11,14-18H2,1H3
InChIKey PXAHEHZHNZNTPJ-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 478.628 g/mol
Solvent CDCl3
Source File Reference UWVN32583