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2,4-DIMETHYL-1-METHYLTHIO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-3-ONE
SpectraBase Compound ID AQH0NgU3i3B
InChI InChI=1S/C10H14O2S/c1-6-8-4-5-10(12-8,13-3)7(2)9(6)11/h4-8H,1-3H3/t6-,7-,8+,10+/m0/s1
InChIKey PDKASUHLMZOUSM-QHOPCYEYSA-N
Mol Weight 198.28 g/mol
Molecular Formula C10H14O2S
Exact Mass 198.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3p4TZCPcjpo
Name 2,4-DIMETHYL-1-METHYLTHIO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-3-ONE
Compound Number 1-SME
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O2S
InChI InChI=1S/C10H14O2S/c1-6-8-4-5-10(12-8,13-3)7(2)9(6)11/h4-8H,1-3H3/t6-,7-,8+,10+/m0/s1
InChIKey PDKASUHLMZOUSM-QHOPCYEYSA-N
Literature Reference Author A.M.MONTANA,P.M.GRIMA,F.GARCIA
Literature Reference Citation MAGN.RES.CHEM.,37,507(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199907)37:7<507::aid-mrc488>3.3.co;2-2
Molecular Weight 198.280 g/mol
Solvent CDCl3
Source File Reference UWVP7259