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EXO-6-METHYL-1-(METHYLTHIO)-ENDO-5-PROPOXY-4-(TRICHLOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
SpectraBase Compound ID KEFKTIPvdii
InChI InChI=1S/C12H15Cl3O4S2/c1-4-5-18-7-6(2)12(20-3)19-10(7,9(17)21-12)8(16)11(13,14)15/h6-7H,4-5H2,1-3H3/t6-,7-,10-,12+/m1/s1
InChIKey KXRPGTSWCQKKKT-JHNVEQIOSA-N
Mol Weight 393.73 g/mol
Molecular Formula C12H15Cl3O4S2
Exact Mass 391.947734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vuNm81qyfW
Name EXO-6-METHYL-1-(METHYLTHIO)-ENDO-5-PROPOXY-4-(TRICHLOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
CAS Registry Number 102517-64-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15Cl3O4S2
InChI InChI=1S/C12H15Cl3O4S2/c1-4-5-18-7-6(2)12(20-3)19-10(7,9(17)21-12)8(16)11(13,14)15/h6-7H,4-5H2,1-3H3/t6-,7-,10-,12+/m1/s1
InChIKey KXRPGTSWCQKKKT-JHNVEQIOSA-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 393.728 g/mol
Solvent CDCl3
Source File Reference UWGB1620