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2(E)-6,6-Bis(ethylsulfanyl)-2-methyl-5-trifluoromethylhexa-2,5-dienoic acid
SpectraBase Compound ID mE8DUxuqbL
InChI InChI=1S/C12H17F3O2S2/c1-4-18-11(19-5-2)9(12(13,14)15)7-6-8(3)10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)/b8-6+
InChIKey HQSIOSOSAVCKNE-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 9ju3NGqvU8W
Name 2(E)-6,6-Bis(ethylsulfanyl)-2-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)7-6-8(3)10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)/b8-6+
InChIKey HQSIOSOSAVCKNE-SOFGYWHQSA-N
Molecular Weight 314.381 g/mol
SMILES OC(\C(=C\CC(C(F)(F)F)=C(SCC)SCC)C)=O
SPLASH splash10-0079-1091000000-4de389924af40a2d0d28
Source of Spectrum KC-61-4400-5
Synonyms (2E)-6,6-bis(ethylsulfanyl)-2-methyl-5-(trifluoromethyl)-2,5-hexadienoic acid
Wiley ID 1628997