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(E,Z)-1,9-DICHLOROTETRAHYDRO-3H,4H-3a,8a-(METHANOTHIOMETHANO)-1H-CYCLOHEPTA[c]THIOPHENE, 2,2,10,10-TETRAOXIDE

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(E,Z)-1,9-DICHLOROTETRAHYDRO-3H,4H-3a,8a-(METHANOTHIOMETHANO)-1H-CYCLOHEPTA[c]THIOPHENE, 2,2,10,10-TETRAOXIDE
SpectraBase Compound ID BzEm0zJMKEj
InChI InChI=1S/C11H16Cl2O4S2/c12-8-10-4-2-1-3-5-11(10,7-19(8,16)17)9(13)18(14,15)6-10/h8-9H,1-7H2
InChIKey HRXAZCDCBFMLTD-UHFFFAOYSA-N
Mol Weight 347.27 g/mol
Molecular Formula C11H16Cl2O4S2
Exact Mass 345.986707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69hh7qNNwRk
Name (E,Z)-1,9-DICHLOROTETRAHYDRO-3H,4H-3a,8a-(METHANOTHIOMETHANO)-1H-CYCLOHEPTA[c]THIOPHENE, 2,2,10,10-TETRAOXIDE
Source of Sample K. Weinges, H. Baake Chem. Ber. 110, 2978(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16Cl2O4S2
InChI InChI=1S/C11H16Cl2O4S2/c12-8-10-4-2-1-3-5-11(10,7-19(8,16)17)9(13)18(14,15)6-10/h8-9H,1-7H2
InChIKey HRXAZCDCBFMLTD-UHFFFAOYSA-N
Molecular Weight 347.28
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms DITHIA/5.3.3/PROPELLANE, 9,12-, 8,13-DICHLORO-, 9,9,12,12-TETRAOXIDE, /E,Z/-, /METHANOTHIOMETHANO/-1H-CYCLOHEPTA/C/THIOPHENE, 3H,4H-3A,8A-, 1,9-DICHLOROTETRAHYDRO-, 2,2,10,10-TETRAOXIDE, /E,Z/-,