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5-METHYL-2,3-OCTAHYDROBENZO-2,5-DIHYDROTHIOPHENE

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5-METHYL-2,3-OCTAHYDROBENZO-2,5-DIHYDROTHIOPHENE
SpectraBase Compound ID 3XyF4tP8eQA
InChI InChI=1S/C9H14S/c1-7-6-8-4-2-3-5-9(8)10-7/h6-7,9H,2-5H2,1H3
InChIKey JHTVNOLFALILLY-UHFFFAOYSA-N
Mol Weight 154.27 g/mol
Molecular Formula C9H14S
Exact Mass 154.081622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GIyxyOJXyY
Name 2,4,5,6,7,7-Hexahydro-2-methyl-benzothiophene
CAS Registry Number 54354-32-4
Comments BRUKER CXP-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14S
InChI InChI=1S/C9H14S/c1-7-6-8-4-2-3-5-9(8)10-7/h6-7,9H,2-5H2,1H3
InChIKey JHTVNOLFALILLY-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