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E-2-(2,6-DIMETHYLHEPTA-1,5-DIENYL)-1,3-DITHIAN

View entire compound with spectra: 4 NMR, and 1 MS (GC)

E-2-(2,6-DIMETHYLHEPTA-1,5-DIENYL)-1,3-DITHIAN
SpectraBase Compound ID CnKLFnpQXNN
InChI InChI=1S/C13H22S2/c1-11(2)6-4-7-12(3)10-13-14-8-5-9-15-13/h6,10,13H,4-5,7-9H2,1-3H3/b12-10+
InChIKey RBHYZSIGEPLTPA-ZRDIBKRKSA-N
Mol Weight 242.44 g/mol
Molecular Formula C13H22S2
Exact Mass 242.116293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7o3hJMPe5Wb
Name (E)-2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dithiane
CAS Registry Number 65447-84-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22S2
InChI InChI=1S/C13H22S2/c1-11(2)6-4-7-12(3)10-13-14-8-5-9-15-13/h6,10,13H,4-5,7-9H2,1-3H3/b12-10+
InChIKey RBHYZSIGEPLTPA-ZRDIBKRKSA-N
Instrument Name Varian CFT-20
Literature Reference A. Hoppmann, P. Weyerstahl, Liebigs Ann. Chem. 1547 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3