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Cyclohexanepropanol, 2,2-dimethyl-6-methylene-, 4-methylbenzenesulfonate
SpectraBase Compound ID EnJeD6SNyCQ
InChI InChI=1S/C19H28O3S/c1-15-9-11-17(12-10-15)23(20,21)22-14-6-8-18-16(2)7-5-13-19(18,3)4/h9-12,18H,2,5-8,13-14H2,1,3-4H3
InChIKey XHWDEGTZBNWDKT-UHFFFAOYSA-N
Mol Weight 336.49 g/mol
Molecular Formula C19H28O3S
Exact Mass 336.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bTweuu58HX
Name Cyclohexanepropanol, 2,2-dimethyl-6-methylene-, 4-methylbenzenesulfonate
Alternate Name(s) 3-(2',2'-Dimethyl-6'-methylidenecyclohexyl)propyl-p-toluenesulfonate 3-(2,2-dimethyl-6-methylenecyclohexyl)propyl 4-methylbenzenesulfonate
CAS Registry Number 95452-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3S
InChI InChI=1S/C19H28O3S/c1-15-9-11-17(12-10-15)23(20,21)22-14-6-8-18-16(2)7-5-13-19(18,3)4/h9-12,18H,2,5-8,13-14H2,1,3-4H3
InChIKey XHWDEGTZBNWDKT-UHFFFAOYSA-N
Molecular Weight 336.490 g/mol
SMILES c1(S(=O)(=O)OCCCC2C(=C)CCCC2(C)C)ccc(cc1)C
SPLASH splash10-0006-9300000000-867af0812d3ba7045772
Source of Spectrum H-67-1740-0
Wiley ID 1332408