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Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 4-methylbenzenesulfonate
SpectraBase Compound ID KfnW7cNTDTz
InChI InChI=1S/C17H26O3S/c1-12(2)16-10-7-14(4)11-17(16)20-21(18,19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3
InChIKey XVOCEKOSQBFFHW-UHFFFAOYSA-N
Mol Weight 310.45 g/mol
Molecular Formula C17H26O3S
Exact Mass 310.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50oGQO2JrLI
Name 2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfonate
Alternate Name(s) (+)-cis-3-Tosyloxy-trans-p-menthane, (1.alpha., 2.alpha., 5.beta)- (-)-cis-3-Tosyloxy-trans-p-menthane (5-methyl-2-propan-2-yl-cyclohexyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2-isopropyl-5-methyl-cyclohexyl) ester 4-Methylbenzenesulfonic acid (5-methyl-2-propan-2-ylcyclohexyl) ester Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 4-methylbenzenesulfonate (5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfonate
CAS Registry Number 63559-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3S
InChI InChI=1S/C17H26O3S/c1-12(2)16-10-7-14(4)11-17(16)20-21(18,19)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3
InChIKey XVOCEKOSQBFFHW-UHFFFAOYSA-N
Molecular Weight 310.452 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OC1C(CCC(C)C1)C(C)C
SPLASH splash10-001v-9300000000-aa4c8df027c63c0b6f1c
Wiley ID 1494593