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1-Cyclohexene-1-ethanol, 3,3-dimethyl-4-(phenylthio)-
SpectraBase Compound ID JE7OEMauHN0
InChI InChI=1S/C16H22OS/c1-16(2)12-13(10-11-17)8-9-15(16)18-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11H2,1-2H3
InChIKey KNUGMRXYZCEHHF-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChqIfZi6TnM
Name 1-Cyclohexene-1-ethanol, 3,3-dimethyl-4-(phenylthio)-
Alternate Name(s) 2-[3,3-dimethyl-4-(phenylsulfanyl)-1-cyclohexen-1-yl]ethanol 6-Phenylthio-3-ochtoden-1-ol
CAS Registry Number 95495-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-16(2)12-13(10-11-17)8-9-15(16)18-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11H2,1-2H3
InChIKey KNUGMRXYZCEHHF-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES OCCC1=CC(C(Sc2ccccc2)CC1)(C)C
SPLASH splash10-0w2i-0940000000-f2c0017f6f075d9045b4
Source of Spectrum AJ-57-3472-0
Wiley ID 1266090