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CIS,TRANS-3,5-DIMETHYL-TRANS,TRANS-3,4-DIHYDROXY-TRANS-2-(PHENYLTHIO)-1-[(TRIFLUOROACETYL)-THIO]-CYCLOHEXANE-3,4-ACETONIDE

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CIS,TRANS-3,5-DIMETHYL-TRANS,TRANS-3,4-DIHYDROXY-TRANS-2-(PHENYLTHIO)-1-[(TRIFLUOROACETYL)-THIO]-CYCLOHEXANE-3,4-ACETONIDE
SpectraBase Compound ID EmPsCBfgZ9f
InChI InChI=1S/C19H23F3O3S2/c1-11-10-13(27-16(23)19(20,21)22)15(26-12-8-6-5-7-9-12)18(4)14(11)24-17(2,3)25-18/h5-9,11,13-15H,10H2,1-4H3/t11-,13-,14-,15+,18-/m0/s1
InChIKey RRVFGPZXNYCESM-JFZQINABSA-N
Mol Weight 420.51 g/mol
Molecular Formula C19H23F3O3S2
Exact Mass 420.104071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KJJ3789Syu
Name CIS,TRANS-3,5-DIMETHYL-TRANS,TRANS-3,4-DIHYDROXY-TRANS-2-(PHENYLTHIO)-1-[(TRIFLUOROACETYL)-THIO]-CYCLOHEXANE-3,4-ACETONIDE
CAS Registry Number 81939-89-1
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23F3O3S2
InChI InChI=1S/C19H23F3O3S2/c1-11-10-13(27-16(23)19(20,21)22)15(26-12-8-6-5-7-9-12)18(4)14(11)24-17(2,3)25-18/h5-9,11,13-15H,10H2,1-4H3/t11-,13-,14-,15+,18-/m0/s1
InChIKey RRVFGPZXNYCESM-JFZQINABSA-N
Literature Reference Author A.K.MUSSER,P.L.FUCHS
Literature Reference Citation J.ORG.CHEM.,47,3121(1982)
Literature Reference DOI 10.1021/jo00137a018
Molecular Weight 420.505 g/mol
Solvent CDCl3
Source File Reference UWCS11342