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2-(1-benzylthio-1-methylthio-1-buten-3-yl)cyclopentanone
SpectraBase Compound ID LcAXrG66dkx
InChI InChI=1S/C17H22OS2/c1-13(15-9-6-10-16(15)18)11-17(19-2)20-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3/b17-11+
InChIKey YHVGGKBMNFZVLD-GZTJUZNOSA-N
Mol Weight 306.48 g/mol
Molecular Formula C17H22OS2
Exact Mass 306.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KL8lFHfuzvO
Name 2-(1-benzylthio-1-methylthio-1-buten-3-yl)cyclopentanone
CAS Registry Number 119756-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS2
InChI InChI=1S/C17H22OS2/c1-13(15-9-6-10-16(15)18)11-17(19-2)20-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3/b17-11+
InChIKey YHVGGKBMNFZVLD-GZTJUZNOSA-N
Molecular Weight 306.482 g/mol
SMILES C(S\C(=C\C(C1C(=O)CCC1)C)SC)c1ccccc1
SPLASH splash10-0006-9121000000-8f2115cbba3a9ba588f4
Source of Spectrum F-44-3582-25
Synonyms 2-[(2E)-3-(benzylsulfanyl)-1-methyl-3-(methylsulfanyl)-2-propenyl]cyclopentanone
Wiley ID 1308034