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2-exo-Thiomethyl-bicyclo-[2.2.2]-5-heptene-2-endo-carboxylic-acid
SpectraBase Compound ID 5KqhrJjaMh7
InChI InChI=1S/C10H14O2S/c1-13-10(9(11)12)6-7-2-4-8(10)5-3-7/h2,4,7-8H,3,5-6H2,1H3,(H,11,12)/t7-,8+,10-/m0/s1
InChIKey TYTQHDJNVONNEO-XKSSXDPKSA-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 63FLWsgOVEH
Name 2-EXO-THIOMETHYL-BICYCLO-[2.2.2]-5-HEPTENE-2-ENDO-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O2S
InChI InChI=1S/C10H14O2S/c1-13-10(9(11)12)6-7-2-4-8(10)5-3-7/h2,4,7-8H,3,5-6H2,1H3,(H,11,12)/t7-,8+,10-/m0/s1
InChIKey TYTQHDJNVONNEO-XKSSXDPKSA-N
Literature Reference Author J.L.BOUCHER,L.STELLA
Literature Reference Citation TETRAHEDRON,42,3871(1986)
Literature Reference DOI 10.1016/S0040-4020(01)87541-4
Molecular Weight 198.280 g/mol
Solvent CDCl3
Source File Reference UWGB24