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2-[(2E)-3-(phenylsulfanyl)-2-propenyl]cyclohexanone
SpectraBase Compound ID J3I2QfkBuYh
InChI InChI=1S/C15H18OS/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-3,6,9-10,12-13H,4-5,7-8,11H2/b12-6+
InChIKey HDLWQGBVLFLOGY-WUXMJOGZSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSsch8lsoiE
Name 2-[(2E)-3-(phenylsulfanyl)-2-propenyl]cyclohexanone
Alternate Name(s) 2-[(E)-3-(phenylthio)allyl]cyclohexanone 2-[(E)-3-(phenylthio)prop-2-enyl]-1-cyclohexanone 2-[(E)-3-phenylsulfanylallyl]cyclohexanone 2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-one
CAS Registry Number 102438-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c16-15-11-5-4-7-13(15)8-6-12-17-14-9-2-1-3-10-14/h1-3,6,9-10,12-13H,4-5,7-8,11H2/b12-6+
InChIKey HDLWQGBVLFLOGY-WUXMJOGZSA-N
Molecular Weight 246.368 g/mol
SMILES C1(=O)C(C\C=C\Sc2ccccc2)CCCC1
SPLASH splash10-00kk-2910000000-9f801188cc31f7ad39fe
Source of Spectrum KC-1989-1634-5
Wiley ID 1249133