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[2,5-DIHYDRO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-4-THIAZOLYLTHIO]-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID 9rbB5zJH3XV
InChI InChI=1S/C10H5F12NO2S2/c1-25-3(24)2-26-4-5(7(11,12)13,8(14,15)16)27-6(23-4,9(17,18)19)10(20,21)22/h2H2,1H3
InChIKey LUXLAZDBXRFRRT-UHFFFAOYSA-N
Mol Weight 463.26 g/mol
Molecular Formula C10H5F12NO2S2
Exact Mass 462.957009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3odB9PYp9yE
Name [2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-4-thiazolylthio]ethenoic acid methylester
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Formula C10H5F12NO2S2
InChI InChI=1S/C10H5F12NO2S2/c1-25-3(24)2-26-4-5(7(11,12)13,8(14,15)16)27-6(23-4,9(17,18)19)10(20,21)22/h2H2,1H3
InChIKey LUXLAZDBXRFRRT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19901230304
Molecular Weight 463.256 g/mol
SMILES C=1(SCC(OC)=O)C(C(F)(F)F)(C(F)(F)F)SC(C(F)(F)F)(C(F)(F)F)N1
SPLASH splash10-0bt9-8400900000-8ddff94efc4b15c6c237
Source of Spectrum K-123-436-3
Synonyms Methyl 2-((2,2,5,5-tetrakis(trifluoromethyl)-2,5-dihydrothiazol-4-yl)thio)acetate
Wiley ID 1792081