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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

Compound with spectra: 2 NMR

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 336.010171 g/mol
Enantiomer InChIKey CUCZFSBOCHUBDM-DVUKDPRHSA-N

View Spectrum of 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

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6

View Spectrum of 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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
Title Journal or Book Year
Zur Regio‐ und Stereoselektivität neuer thermischer [3 + 2]‐Cycloadditionen mesoionischer 1,3‐Oxathiol‐4‐one an Alkine und Alkene Chemische Berichte 1986
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