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1-methyl-3,4-bis(trifluoromethylthio)pyrazole
SpectraBase Compound ID 4EcQxTFUF9I
InChI InChI=1S/C6H4F6N2S2/c1-14-2-3(15-5(7,8)9)4(13-14)16-6(10,11)12/h2H,1H3
InChIKey COOYINRAMATELI-UHFFFAOYSA-N
Mol Weight 282.22 g/mol
Molecular Formula C6H4F6N2S2
Exact Mass 281.972009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78ZskWXbF1D
Name 1-methyl-3,4-bis(trifluoromethylthio)pyrazole
Alternate Name(s) 1-methyl-3,4-bis(trifluoromethylsulfanyl)pyrazole
CAS Registry Number 114861-78-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4F6N2S2
InChI InChI=1S/C6H4F6N2S2/c1-14-2-3(15-5(7,8)9)4(13-14)16-6(10,11)12/h2H,1H3
InChIKey COOYINRAMATELI-UHFFFAOYSA-N
Molecular Weight 282.222 g/mol
SMILES c1(c(c[n](n1)C)SC(F)(F)F)SC(F)(F)F
SPLASH splash10-0006-9020000000-ca0d21046e228821c6aa
Source of Spectrum K-121-1838-7
Wiley ID 1285222