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3-[(phenylthio)methylene]-1,5,5-trimethyl-1-cyclohexene
SpectraBase Compound ID HI2WlEG3UFm
InChI InChI=1S/C16H20S/c1-13-9-14(11-16(2,3)10-13)12-17-15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3/b14-12+
InChIKey JILZQPAWBCMIPT-WYMLVPIESA-N
Mol Weight 244.4 g/mol
Molecular Formula C16H20S
Exact Mass 244.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOAlTHcyeLE
Name 3-[(phenylthio)methylene]-1,5,5-trimethyl-1-cyclohexene
Alternate Name(s) phenyl (Z)-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl sulfide {[(Z)-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]sulfanyl}benzene
CAS Registry Number 104115-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20S
InChI InChI=1S/C16H20S/c1-13-9-14(11-16(2,3)10-13)12-17-15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3/b14-12+
InChIKey JILZQPAWBCMIPT-WYMLVPIESA-N
Molecular Weight 244.396 g/mol
SMILES C=1\C(CC(CC1C)(C)C)=C/Sc1ccccc1
SPLASH splash10-0a4i-0930000000-49026699544613a1af74
Source of Spectrum J-51-3991-21
Wiley ID 1247510