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2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)benzoic acid
SpectraBase Compound ID E2SMse7Z1HY
InChI InChI=1S/C15H17F3O2S2/c1-3-21-14(22-4-2)12(15(16,17)18)9-10-7-5-6-8-11(10)13(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKey QKPXNYOAWBAJRM-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C15H17F3O2S2
Exact Mass 350.062207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oVKMf1Ljhb
Name 2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17F3O2S2
InChI InChI=1S/C15H17F3O2S2/c1-3-21-14(22-4-2)12(15(16,17)18)9-10-7-5-6-8-11(10)13(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKey QKPXNYOAWBAJRM-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES OC(c1c(CC(C(F)(F)F)=C(SCC)SCC)cccc1)=O
SPLASH splash10-005j-0940000000-98316414d78f32c5a1c0
Source of Spectrum KC-61-4400-8
Synonyms 2-[3,3-bis(ethylsulfanyl)-2-(trifluoromethyl)-2-propenyl]benzoic acid
Wiley ID 1628995