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2-Phenylsulfonyl-1,3-cyclohexadiene
SpectraBase Compound ID Gqw2F8xXqbz
InChI InChI=1S/C12H12O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-10H,2,6H2
InChIKey VFNKGBTVDLBPBK-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eH0mbXGOGm
Name 2-Phenylsulfonyl-1,3-cyclohexadiene
CAS Registry Number 102860-22-0
Comments REASSIGNED (W.M.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-10H,2,6H2
InChIKey VFNKGBTVDLBPBK-UHFFFAOYSA-N
Literature Reference J.E. Baeckvall, S.K. Juntunen, J. Am. Chem. Soc. 109, 6396 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported