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2-(1-benzylthio-1-methylthio-1-buten-3-yl)cyclohexanone
SpectraBase Compound ID BZg46O4NLaR
InChI InChI=1S/C18H24OS2/c1-14(16-10-6-7-11-17(16)19)12-18(20-2)21-13-15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3/b18-12+
InChIKey ZXYMCXARZAJXRD-LDADJPATSA-N
Mol Weight 320.51 g/mol
Molecular Formula C18H24OS2
Exact Mass 320.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pXjh1S7VuO
Name 2-(1-benzylthio-1-methylthio-1-buten-3-yl)cyclohexanone
Alternate Name(s) 2-[(2E)-3-(benzylsulfanyl)-1-methyl-3-(methylsulfanyl)-2-propenyl]cyclohexanone
CAS Registry Number 119756-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24OS2
InChI InChI=1S/C18H24OS2/c1-14(16-10-6-7-11-17(16)19)12-18(20-2)21-13-15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3/b18-12+
InChIKey ZXYMCXARZAJXRD-LDADJPATSA-N
Molecular Weight 320.509 g/mol
SMILES C(S\C(=C\C(C1C(=O)CCCC1)C)SC)c1ccccc1
SPLASH splash10-0006-9330000000-9c6b4111affad3afda1d
Source of Spectrum F-44-3582-26
Wiley ID 1320109