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2-(3-Methyl-1-heptenyl)-1,3-dithiane

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2-(3-Methyl-1-heptenyl)-1,3-dithiane
SpectraBase Compound ID 2cxFwgOQYh
InChI InChI=1S/C12H22S2/c1-3-4-6-11(2)7-8-12-13-9-5-10-14-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey YWVUCMHRSJDRDM-BQYQJAHWSA-N
Mol Weight 230.43 g/mol
Molecular Formula C12H22S2
Exact Mass 230.116293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZIfhmqXn9l
Name 2-(3-Methyl-1-heptenyl)-1,3-dithiane
CAS Registry Number 64087-19-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22S2
InChI InChI=1S/C12H22S2/c1-3-4-6-11(2)7-8-12-13-9-5-10-14-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+
InChIKey YWVUCMHRSJDRDM-BQYQJAHWSA-N
Literature Reference D. Seebach, R. Buerstinghaus, Liebigs Ann. Chem. 830 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3