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4,4-Bis(ethylsulfanyl)-3-trifluoromethyl-2,2-dimethylbut-3-enoic acid
SpectraBase Compound ID BH3gYTHBGwQ
InChI InChI=1S/C11H17F3O2S2/c1-5-17-8(18-6-2)7(11(12,13)14)10(3,4)9(15)16/h5-6H2,1-4H3,(H,15,16)
InChIKey KNKKWDVYQDGGGU-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C11H17F3O2S2
Exact Mass 302.062207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vLETGiyfaK
Name 4,4-Bis(ethylsulfanyl)-3-trifluoromethyl-2,2-dimethylbut-3-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17F3O2S2
InChI InChI=1S/C11H17F3O2S2/c1-5-17-8(18-6-2)7(11(12,13)14)10(3,4)9(15)16/h5-6H2,1-4H3,(H,15,16)
InChIKey KNKKWDVYQDGGGU-UHFFFAOYSA-N
Molecular Weight 302.370 g/mol
SMILES OC(C(C(=C(SCC)SCC)C(F)(F)F)(C)C)=O
SPLASH splash10-0avj-0591000000-f87fc07db3d155172338
Source of Spectrum KC-61-4398-3
Synonyms 4,4-bis(ethylsulfanyl)-2,2-dimethyl-3-(trifluoromethyl)-3-butenoic acid 4,4-bis(ethylthio)-2,2-dimethyl-3-(trifluoromethyl)-3-butenoic acid 4,4-bis(ethylsulfanyl)-2,2-dimethyl-3-(trifluoromethyl)but-3-enoic acid
Wiley ID 1629003