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3-(METHYLSULFANYL)-2-THIABICYCLO-[2.2.1]-HEPT-5-ENE
SpectraBase Compound ID KqiIJBXyH77
InChI InChI=1S/C7H10S2/c1-8-7-5-2-3-6(4-5)9-7/h2-3,5-7H,4H2,1H3/t5-,6-,7-/m1/s1
InChIKey PPJHQKWKUDJHQM-FSDSQADBSA-N
Mol Weight 158.28 g/mol
Molecular Formula C7H10S2
Exact Mass 158.022393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEKd8H7KVne
Name 3-(METHYLSULFANYL)-2-THIABICYCLO-[2.2.1]-HEPT-5-ENE
Compound Number 8A-ENDO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10S2
InChI InChI=1S/C7H10S2/c1-8-7-5-2-3-6(4-5)9-7/h2-3,5-7H,4H2,1H3/t5-,6-,7-/m1/s1
InChIKey PPJHQKWKUDJHQM-FSDSQADBSA-N
Literature Reference Author S.SANCHEZ,J.H.BATESON,P.J.O.HANLON,T.GALLAGHER
Literature Reference Citation ORG.LETTERS,6,2781(2004)
Literature Reference DOI 10.1021/ol048991z
Molecular Weight 158.276 g/mol
Sample ID 34601
Solvent CDCl3