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Cyclohexanol, 2-[3-(phenylthio)-1-propenyl]-, [1.alpha.,2.beta.(E)]-
SpectraBase Compound ID 2T9XqH9iu99
InChI InChI=1S/C15H20OS/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-3,6,8-10,13,15-16H,4-5,7,11-12H2/b8-6+
InChIKey KXKUHXPVORXBGG-SOFGYWHQSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IETCGyE3QOf
Name Cyclohexanol, 2-[3-(phenylthio)-1-propenyl]-, [1.alpha.,2.beta.(E)]-
Alternate Name(s) (E)-2-[3-(phenylthio)-1-propenyl]-1-cyclohexanol 2-[(1E)-3-(phenylsulfanyl)-1-propenyl]cyclohexanol
CAS Registry Number 131379-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-3,6,8-10,13,15-16H,4-5,7,11-12H2/b8-6+
InChIKey KXKUHXPVORXBGG-SOFGYWHQSA-N
Molecular Weight 248.384 g/mol
SMILES OC1C(\C=C\CSc2ccccc2)CCCC1
SPLASH splash10-03di-1900000000-a73dad0777aa1d0537ca
Source of Spectrum J-56-720-4
Wiley ID 1251236