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

View entire compound with spectra: 1 MS (GC)

3-(E)-6,6-Bis(ethylsulfanyl)-2-methyl-5-trifluoromethylhexa-3,5-dienoic acid
SpectraBase Compound ID 5bo2KhG2gqu
InChI InChI=1S/C12H17F3O2S2/c1-4-18-11(19-5-2)9(12(13,14)15)7-6-8(3)10(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)/b7-6+
InChIKey QYIQIJUDFWGDMF-VOTSOKGWSA-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 A9MuijKRfea
Name 3-(E)-6,6-Bis(ethylsulfanyl)-2-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)7-6-8(3)10(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)/b7-6+
InChIKey QYIQIJUDFWGDMF-VOTSOKGWSA-N
Molecular Weight 314.381 g/mol
SMILES OC(C(\C=C\C(C(F)(F)F)=C(SCC)SCC)C)=O
SPLASH splash10-000i-0190000000-8f3e7e3b06f5743616dd
Source of Spectrum KC-61-4400-6
Wiley ID 1628996