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9-THIABICYCLO/3.3.1/NON-2-ENE

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9-THIABICYCLO/3.3.1/NON-2-ENE
SpectraBase Compound ID 3XdLh54KanD
InChI InChI=1S/C8H12O2S/c9-11(10)7-3-1-4-8(11)6-2-5-7/h1,3,7-8H,2,4-6H2/t7-,8+/m0/s1
InChIKey SXQWVIFREKXELQ-JGVFFNPUSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uAax4yKcBM
Name 9-THIABICYCLO[3.3.1]NON-2-ENE
Source of Sample J. R. Wiseman, H. O. Krabbenhoft J. Org. Chem. 41, 1518(1976)
CAS Registry Number 6435-90-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c9-11(10)7-3-1-4-8(11)6-2-5-7/h1,3,7-8H,2,4-6H2/t7-,8+/m0/s1
InChIKey SXQWVIFREKXELQ-JGVFFNPUSA-N
Molecular Weight 172.25
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol PS-100
Synonyms 9-THIABICYCLO/3.3.1/NON-2-ENE