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1-Cyclohexene-1-propanol, 2,6,6-trimethyl-, 4-methylbenzenesulfonate
SpectraBase Compound ID LUXZD4Df7LB
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/h9-12H,5-8,13-14H2,1-4H3
InChIKey BKNQVKAEZVXGLG-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 8NhhDBtYet8
Name 1-Cyclohexene-1-propanol, 2,6,6-trimethyl-, 4-methylbenzenesulfonate
Alternate Name(s) 3-(2',6',6'-Trimethylcyclohex-1'-en-1'-yl)propyl-p-toluenesulfonate 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl 4-methylbenzenesulfonate
CAS Registry Number 54344-71-7
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/h9-12H,5-8,13-14H2,1-4H3
InChIKey BKNQVKAEZVXGLG-UHFFFAOYSA-N
Molecular Weight 336.490 g/mol
SMILES c1(S(=O)(=O)OCCCC2=C(CCCC2(C)C)C)ccc(cc1)C
SPLASH splash10-052f-9600000000-90e2f49f2950680a44bf
Source of Spectrum H-57-1121-33
Wiley ID 1332407