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4-Oxa-3-thia-tricyclo(3.3.0.0/2,8/)oct-6-ene 3-oxide

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4-Oxa-3-thia-tricyclo(3.3.0.0/2,8/)oct-6-ene 3-oxide
SpectraBase Compound ID CUpchejCiOV
InChI InChI=1S/C6H6O2S/c7-9-6-3-1-2-4(8-9)5(3)6/h1-6H
InChIKey PTYWVUJLONYOCC-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bNgaFX2srg
Name 4-OXA-3-THIATRICYCLO[3.3.0.02,8]OCT-6-ENE, 3-OXIDE
Source of Sample M. Christl, E. Brunn, F. Lanzendoerfer J. Amer. Chem. Soc. 106, 373(1984)
CAS Registry Number 87986-15-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c7-9-6-3-1-2-4(8-9)5(3)6/h1-6H
InChIKey PTYWVUJLONYOCC-UHFFFAOYSA-N
Molecular Weight 142.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 4-OXA-3-THIATRICYCLO/3.3.0.0<2,8/OCT 6-ENE, 3-OXIDE