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3-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-3,5-dienoic acid

View entire compound with spectra: 1 MS (GC)

3-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-3,5-dienoic acid
SpectraBase Compound ID BWGbnJzusF
InChI InChI=1S/C12H17F3O2S2/c1-4-18-11(19-5-2)9(12(13,14)15)6-8(3)7-10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)/b8-6+
InChIKey ZIPNFUXOVJNRCJ-SOFGYWHQSA-N
Mol Weight 314.38 g/mol
Molecular Formula C12H17F3O2S2
Exact Mass 314.062207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWPUR25yNnI
Name 3-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-3,5-dienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17F3O2S2
InChI InChI=1S/C12H17F3O2S2/c1-4-18-11(19-5-2)9(12(13,14)15)6-8(3)7-10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)/b8-6+
InChIKey ZIPNFUXOVJNRCJ-SOFGYWHQSA-N
Molecular Weight 314.381 g/mol
SMILES OC(C\C(=C\C(C(F)(F)F)=C(SCC)SCC)C)=O
SPLASH splash10-00kr-6090000000-9461429ff011f251255d
Source of Spectrum KC-61-4399-6
Wiley ID 1628998