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3-(2-Acetylthioethyl)-2-trifluoroacetylimino-6-trifluoromethoxy-2-benzothiazoline
SpectraBase Compound ID 3ar05bPoxw3
InChI InChI=1S/C14H10F6N2O3S2/c1-7(23)26-5-4-22-9-3-2-8(25-14(18,19)20)6-10(9)27-12(22)21-11(24)13(15,16)17/h2-3,6H,4-5H2,1H3/b21-12-
InChIKey GFWACBDVVDJBCU-MTJSOVHGSA-N
Mol Weight 432.36 g/mol
Molecular Formula C14H10F6N2O3S2
Exact Mass 432.003704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E52G5smKP8A
Name 3-(2-Acetylthioethyl)-2-trifluoroacetylimino-6-trifluoromethoxy-2-benzothiazoline
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Formula C14H10F6N2O3S2
InChI InChI=1S/C14H10F6N2O3S2/c1-7(23)26-5-4-22-9-3-2-8(25-14(18,19)20)6-10(9)27-12(22)21-11(24)13(15,16)17/h2-3,6H,4-5H2,1H3/b21-12-
InChIKey GFWACBDVVDJBCU-MTJSOVHGSA-N
Molecular Weight 432.355 g/mol
SMILES C(\N=C\1N(c2ccc(OC(F)(F)F)cc2S1)CCSC(=O)C)(C(F)(F)F)=O
SPLASH splash10-000x-9103200000-56382fc71e8e24304cea
Source of Spectrum H1-36-2749-5
Synonyms S-[2-((2Z)-2-{[(Z)-2,2,2-trifluoroethanoyl]imino}-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl)ethyl]ethanethioate
Wiley ID 755670