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2-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-2,5-dienoic acid

View entire compound with spectra: 1 MS (GC)

2-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-2,5-dienoic acid
SpectraBase Compound ID 4e4TxQOrIgT
InChI InChI=1S/C12H17F3O2S2/c1-4-18-11(19-5-2)9(12(13,14)15)6-8(3)7-10(16)17/h7H,4-6H2,1-3H3,(H,16,17)/b8-7+
InChIKey WFCAZUISIUAZTJ-BQYQJAHWSA-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 HaHN3acHzYy
Name 2-(E)-6,6-Bis(ethylsulfanyl)-3-methyl-5-trifluoromethylhexa-2,5-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/h7H,4-6H2,1-3H3,(H,16,17)/b8-7+
InChIKey WFCAZUISIUAZTJ-BQYQJAHWSA-N
Molecular Weight 314.381 g/mol
SMILES OC(\C=C\(CC(C(F)(F)F)=C(SCC)SCC)C)=O
SPLASH splash10-054x-0960000000-10f27ac8ce79639a5831
Source of Spectrum KC-61-4399-5
Wiley ID 1628999