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Cyclohexanol, 2-[3-(phenylthio)-1-propenyl]-, 4-methylbenzenesulfonate, [1.alpha.,2.beta.(Z)]-
SpectraBase Compound ID 7uhqKCMGAua
InChI InChI=1S/C22H26O3S2/c1-18-13-15-21(16-14-18)27(23,24)25-22-12-6-5-8-19(22)9-7-17-26-20-10-3-2-4-11-20/h2-4,7,9-11,13-16,19,22H,5-6,8,12,17H2,1H3/b9-7-
InChIKey QHMZWOHBFYWURB-CLFYSBASSA-N
Mol Weight 402.57 g/mol
Molecular Formula C22H26O3S2
Exact Mass 402.132337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A81Ael7hZ1Q
Name Cyclohexanol, 2-[3-(phenylthio)-1-propenyl]-, 4-methylbenzenesulfonate, [1.alpha.,2.beta.(Z)]-
Alternate Name(s) (Z)-2-[3-(phenylthio)-1-propenyl]cyclohexyl tosylate 2-[(1Z)-3-(phenylsulfanyl)-1-propenyl]cyclohexyl 4-methylbenzenesulfonate
CAS Registry Number 131483-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3S2
InChI InChI=1S/C22H26O3S2/c1-18-13-15-21(16-14-18)27(23,24)25-22-12-6-5-8-19(22)9-7-17-26-20-10-3-2-4-11-20/h2-4,7,9-11,13-16,19,22H,5-6,8,12,17H2,1H3/b9-7-
InChIKey QHMZWOHBFYWURB-CLFYSBASSA-N
Molecular Weight 402.567 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(\C=C/CSc2ccccc2)CCCC1
SPLASH splash10-0596-6920000000-cd5699e92f17e2dabd10
Source of Spectrum J-56-721-5
Wiley ID 1370332