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5(3)-(3-Mercaptoeth-1-yl)thio-4-trifluoroacetyl-3(5)-trifluorimethyl-1H-pyrazole
SpectraBase Compound ID AY2IlKwmMan
InChI InChI=1S/C9H8F6N2OS2/c10-8(11,12)5-4(6(18)9(13,14)15)7(17-16-5)20-3-1-2-19/h19H,1-3H2,(H,16,17)
InChIKey ABISVUVCIYSCBD-UHFFFAOYSA-N
Mol Weight 338.29 g/mol
Molecular Formula C9H8F6N2OS2
Exact Mass 337.998224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42hXWqLUOl8
Name 5(3)-(3-Mercaptoeth-1-yl)thio-4-trifluoroacetyl-3(5)-trifluorimethyl-1H-pyrazole
Alternate Name(s) 2,2,2-trifluoro-1-[3-[(3-sulfanylpropyl)sulfanyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F6N2OS2
InChI InChI=1S/C9H8F6N2OS2/c10-8(11,12)5-4(6(18)9(13,14)15)7(17-16-5)20-3-1-2-19/h19H,1-3H2,(H,16,17)
InChIKey ABISVUVCIYSCBD-UHFFFAOYSA-N
Molecular Weight 338.286 g/mol
SMILES SCCCSc1c(c([nH]n1)C(F)(F)F)C(C(F)(F)F)=O
SPLASH splash10-0a4i-0049000000-5cf82e1e801d8c3450d3
Source of Spectrum F-53-17169-16
Wiley ID 804936