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3-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)thiophene-2-carboxylic acid
SpectraBase Compound ID CBPds0alm0e
InChI InChI=1S/C13H15F3O2S3/c1-3-19-12(20-4-2)9(13(14,15)16)7-8-5-6-21-10(8)11(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKey WNJWWUBTTNTZHX-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C13H15F3O2S3
Exact Mass 356.018628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfDnWiQZ8S6
Name 3-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)thiophene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O2S3
InChI InChI=1S/C13H15F3O2S3/c1-3-19-12(20-4-2)9(13(14,15)16)7-8-5-6-21-10(8)11(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKey WNJWWUBTTNTZHX-UHFFFAOYSA-N
Molecular Weight 356.436 g/mol
SMILES OC(c1c(CC(C(F)(F)F)=C(SCC)SCC)ccs1)=O
SPLASH splash10-00kb-0091000000-7426aa1b93faf2ee90cb
Source of Spectrum KC-61-4401-8
Synonyms 3-[3,3-bis(ethylsulfanyl)-2-(trifluoromethyl)-2-propenyl]-2-thiophenecarboxylic acid
Wiley ID 1628993