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Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(methylthio)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(methylthio)-
SpectraBase Compound ID 4Rh2mi3AKQv
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)
InChIKey TYTQHDJNVONNEO-UHFFFAOYSA-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 FB7lGQLRUyb
Name 2-endo-Thiomethyl-bicyclo-[2.2.2]-5-octene-2-exo-carboxylic-acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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)
InChIKey TYTQHDJNVONNEO-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference Tetrahedron 42, 3871 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3