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1-(TERT.-BUTYLTHIO)-ENDO-5-ETHOXY-4-(TRIFLUOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
SpectraBase Compound ID IEQthsC2y1W
InChI InChI=1S/C13H17F3O4S2/c1-5-19-7-6-11(22-10(2,3)4)20-12(7,9(18)21-11)8(17)13(14,15)16/h7H,5-6H2,1-4H3/t7-,11-,12-/m1/s1
InChIKey XUKUQJJARUZVKJ-NZXMKCKXSA-N
Mol Weight 358.39 g/mol
Molecular Formula C13H17F3O4S2
Exact Mass 358.052036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JW4M2GVkNCU
Name 1-(TERT.-BUTYLTHIO)-ENDO-5-ETHOXY-4-(TRIFLUOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
CAS Registry Number 102435-82-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17F3O4S2
InChI InChI=1S/C13H17F3O4S2/c1-5-19-7-6-11(22-10(2,3)4)20-12(7,9(18)21-11)8(17)13(14,15)16/h7H,5-6H2,1-4H3/t7-,11-,12-/m1/s1
InChIKey XUKUQJJARUZVKJ-NZXMKCKXSA-N
Literature Reference Author H.GOTTHARDT,H.G.KINZELMANN,U.FEIST,J.BUDDRUS
Literature Reference Citation CHEM.BER.,119,2317(1986)
Literature Reference DOI 10.1002/cber.19861190723
Molecular Weight 358.391 g/mol
Solvent C6D6
Source File Reference UWGB1618