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(3,5-Bismethylsulfanylisothiazol-4-yl)carbamic acid, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID EGO1jr1gvHB
InChI InChI=1S/C8H9F3N2O2S3/c1-16-5-4(6(17-2)18-13-5)12-7(14)15-3-8(9,10)11/h3H2,1-2H3,(H,12,14)
InChIKey XYKILVSKCBPZKG-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C8H9F3N2O2S3
Exact Mass 317.977826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jZoSfLO0u
Name (3,5-Bismethylsulfanylisothiazol-4-yl)carbamic acid, 2,2,2-trifluoroethyl ester
Alternate Name(s) 2,2,2-trifluoroethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate 2,2,2-trifluoroethyl N-[3,5-bis(methylsulfanyl)isothiazol-4-yl]carbamate 2,2,2-tris(fluoranyl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate N-[3,5-bis(methylthio)-4-isothiazolyl]carbamic acid 2,2,2-trifluoroethyl ester N-[3,5-bis(methylthio)isothiazol-4-yl]carbamic acid 2,2,2-trifluoroethyl ester
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Formula C8H9F3N2O2S3
InChI InChI=1S/C8H9F3N2O2S3/c1-16-5-4(6(17-2)18-13-5)12-7(14)15-3-8(9,10)11/h3H2,1-2H3,(H,12,14)
InChIKey XYKILVSKCBPZKG-UHFFFAOYSA-N
Molecular Weight 318.347 g/mol
SMILES N(c1c(snc1SC)SC)C(=O)OCC(F)(F)F
SPLASH splash10-00l7-9412000000-8bfcd1d4866fc5b3587e
Wiley ID 1436610