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5,5-DIMETHYL-2,3-OCTAHYDROBENZO-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE

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5,5-DIMETHYL-2,3-OCTAHYDROBENZO-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE
SpectraBase Compound ID 3Cg06RJCNKQ
InChI InChI=1S/C10H16O2S/c1-10(2)7-8-5-3-4-6-9(8)13(10,11)12/h7,9H,3-6H2,1-2H3
InChIKey SXMBPBZPDLKPLQ-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GDgRPURYIe
Name 2,4,5,6,7,7-Hexahydro-2,2-dimethyl-benzothiophene 1,1-dioxide
CAS Registry Number 69858-72-6
Comments BRUKER CXP-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c1-10(2)7-8-5-3-4-6-9(8)13(10,11)12/h7,9H,3-6H2,1-2H3
InChIKey SXMBPBZPDLKPLQ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J. Mc Intosh, Can. J. Chem. 57, 131 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3