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5-ISOPROPYLIDEN-7-(METHYLTHIO)-1-(TRICHLOROACETYL)-10-OXA-8-THIA-ENDO-TRICYCLO-[5.2.1.0(2,6)]-DEC-3-ENE-9-ONE
SpectraBase Compound ID AvvtvmcG2xp
InChI InChI=1S/C14H13Cl3O3S2/c1-6(2)7-4-5-8-9(7)14(21-3)20-12(8,11(19)22-14)10(18)13(15,16)17/h4-5,8-9H,1-3H3/t8-,9+,12-,14+/m1/s1
InChIKey OPUPNIXOYZYZLT-UGIUPUBSSA-N
Mol Weight 399.73 g/mol
Molecular Formula C14H13Cl3O3S2
Exact Mass 397.93717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1Cniey5auF
Name 5-ISOPROPYLIDEN-7-(METHYLTHIO)-1-(TRICHLOROACETYL)-10-OXA-8-THIA-ENDO-TRICYCLO-[5.2.1.0(2,6)]-DEC-3-ENE-9-ONE
CAS Registry Number 102435-86-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13Cl3O3S2
InChI InChI=1S/C14H13Cl3O3S2/c1-6(2)7-4-5-8-9(7)14(21-3)20-12(8,11(19)22-14)10(18)13(15,16)17/h4-5,8-9H,1-3H3/t8-,9+,12-,14+/m1/s1
InChIKey OPUPNIXOYZYZLT-UGIUPUBSSA-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 399.734 g/mol
Solvent CDCl3
Source File Reference UWGB1623