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(RS)-2-Imino-3-(3-methylsulfonylpropyl)-6-trifluoromethoxybenzothiazoline oxalate
SpectraBase Compound ID HypdQfd2r6V
InChI InChI=1S/C12H13F3N2O3S2/c1-22(18,19)6-2-5-17-9-4-3-8(20-12(13,14)15)7-10(9)21-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey QKJMYKPJFNYNAT-UHFFFAOYSA-N
Mol Weight 354.36 g/mol
Molecular Formula C12H13F3N2O3S2
Exact Mass 354.031969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VKZGLFZk4N
Name (RS)-2-Imino-3-(3-methylsulfonylpropyl)-6-trifluoromethoxybenzothiazoline oxalate
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Formula C12H13F3N2O3S2
InChI InChI=1S/C12H13F3N2O3S2/c1-22(18,19)6-2-5-17-9-4-3-8(20-12(13,14)15)7-10(9)21-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey QKJMYKPJFNYNAT-UHFFFAOYSA-N
Molecular Weight 354.362 g/mol
SMILES N=C1N(c2ccc(OC(F)(F)F)cc2S1)CCCS(=O)(=O)C
SPLASH splash10-0061-0190000000-e97ff311998548c949fc
Source of Spectrum F2-42-2841-71
Synonyms 3-[3-(methylsulfonyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine 3-(3-Methylsulfonylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine 3-(3-Methylsulfonylpropyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine
Wiley ID 1600294