John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1A3DWWsdOFM SpectraBase Spectrum ID=2wgBkxciEtp

(accessed ).
SYN-3-(METHYLTHIO)-6-(TRIFLUOROACETYL)-12-OXA-4-THIA-EXO-TETRACYCLO-[6.2.1.1(3,6).0(2,7)]-DODEC-9-ENE-5-ONE
SpectraBase Compound ID 1A3DWWsdOFM
InChI InChI=1S/C13H11F3O3S2/c1-20-13-8-6-3-2-5(4-6)7(8)11(19-13,10(18)21-13)9(17)12(14,15)16/h2-3,5-8H,4H2,1H3/t5-,6+,7+,8-,11-,13+/m1/s1
InChIKey CUCZFSBOCHUBDM-BTWXFFAKSA-N
Mol Weight 336.34 g/mol
Molecular Formula C13H11F3O3S2
Exact Mass 336.010173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wgBkxciEtp
Name SYN-3-(METHYLTHIO)-6-(TRIFLUOROACETYL)-12-OXA-4-THIA-EXO-TETRACYCLO-[6.2.1.1(3,6).0(2,7)]-DODEC-9-ENE-5-ONE
CAS Registry Number 102435-76-7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3O3S2
InChI InChI=1S/C13H11F3O3S2/c1-20-13-8-6-3-2-5(4-6)7(8)11(19-13,10(18)21-13)9(17)12(14,15)16/h2-3,5-8H,4H2,1H3/t5-,6+,7+,8-,11-,13+/m1/s1
InChIKey CUCZFSBOCHUBDM-BTWXFFAKSA-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 336.344 g/mol
Solvent C6D6
Source File Reference UWGB1612
SpectraBase Batch ID LMB7mOjKz7q