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2,4-DIMETHYL-1-PHENYLTHIO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-3-ONE
SpectraBase Compound ID 6agwaCHXLZ2
InChI InChI=1S/C15H16O2S/c1-10-13-8-9-15(17-13,11(2)14(10)16)18-12-6-4-3-5-7-12/h3-11,13H,1-2H3/t10-,11-,13+,15+/m0/s1
InChIKey AJJNUVGXXZHFSX-HTTKSJEASA-N
Mol Weight 260.35 g/mol
Molecular Formula C15H16O2S
Exact Mass 260.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5w3lUQHciLK
Name 2,4-DIMETHYL-1-PHENYLTHIO-8-OXABICYCLO-[3.2.1]-OCT-6-EN-3-ONE
Compound Number 1-SPH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16O2S
InChI InChI=1S/C15H16O2S/c1-10-13-8-9-15(17-13,11(2)14(10)16)18-12-6-4-3-5-7-12/h3-11,13H,1-2H3/t10-,11-,13+,15+/m0/s1
InChIKey AJJNUVGXXZHFSX-HTTKSJEASA-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 260.351 g/mol
Solvent CDCl3
Source File Reference UWVP7261