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3-Oxo-4,6,7,7-tetramethyl-2-thia-bicyclo(2.2.2)oct-5-ene

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3-Oxo-4,6,7,7-tetramethyl-2-thia-bicyclo(2.2.2)oct-5-ene
SpectraBase Compound ID DMbykiDp62q
InChI InChI=1S/C11H16OS/c1-7-5-11(4)6-10(2,3)8(7)13-9(11)12/h5,8H,6H2,1-4H3/t8-,11+/m0/s1
InChIKey INNUUKNQRZDRBF-GZMMTYOYSA-N
Mol Weight 196.31 g/mol
Molecular Formula C11H16OS
Exact Mass 196.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HD15NVgw9sH
Name 3-Oxo-4,6,7,7-tetramethyl-2-thia-bicyclo(2.2.2)oct-5-ene
CAS Registry Number 40169-02-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16OS
InChI InChI=1S/C11H16OS/c1-7-5-11(4)6-10(2,3)8(7)13-9(11)12/h5,8H,6H2,1-4H3/t8-,11+/m0/s1
InChIKey INNUUKNQRZDRBF-GZMMTYOYSA-N
Instrument Name Varian XL-100
Literature Reference H.J. Reich, J.E. Trend, J. Org. Chem. 38, 2637 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid