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Cyclohexanecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-2,6-dimethyl-, methyl ester, (1.alpha.,2.alpha.,6.alpha.)-
SpectraBase Compound ID CS2Zrlb10YI
InChI InChI=1S/C15H26O2S2/c1-11-6-4-7-12(2)15(11,14(16)17-3)10-13-18-8-5-9-19-13/h11-13H,4-10H2,1-3H3/t11-,12+,15-
InChIKey HSACPBBGFSBDDV-JJLQDPRZSA-N
Mol Weight 302.49 g/mol
Molecular Formula C15H26O2S2
Exact Mass 302.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oRLuFJrFqh
Name Cyclohexanecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-2,6-dimethyl-, methyl ester, (1.alpha.,2.alpha.,6.alpha.)-
Alternate Name(s) (Z,Z)-2-Carbomethoxy-2-(2',2'-trimethylenedithioethyl)-1,3-dimethylcyclohexane 1,3-Dithiane, cyclohexanecarboxylic acid deriv. Methyl (2R,6S)-1-(1,3-dithian-2-ylmethyl)-2,6-dimethylcyclohexanecarboxylate
CAS Registry Number 56063-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2S2
InChI InChI=1S/C15H26O2S2/c1-11-6-4-7-12(2)15(11,14(16)17-3)10-13-18-8-5-9-19-13/h11-13H,4-10H2,1-3H3/t11-,12+,15-
InChIKey HSACPBBGFSBDDV-JJLQDPRZSA-N
Molecular Weight 302.491 g/mol
SMILES [C@]1(C(=O)OC)(CC2SCCCS2)[C@](CCC[C@]1(C)[H])(C)[H]
SPLASH splash10-05o3-4900000000-df2fbf3baced1bef65f3
Source of Spectrum C-97-2230-0
Wiley ID 1304441