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3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID CuP38zYZ8YR
InChI InChI=1S/C12H13F3N2OS/c1-2-3-6-17-9-5-4-8(18-12(13,14)15)7-10(9)19-11(17)16/h4-5,7,16H,2-3,6H2,1H3
InChIKey WQUPGJVOXHLZRE-UHFFFAOYSA-N
Mol Weight 290.3 g/mol
Molecular Formula C12H13F3N2OS
Exact Mass 290.070069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMUyWelq78j
Name 3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Comments Less than 3 mono-isotopic peaks
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Formula C12H13F3N2OS
InChI InChI=1S/C12H13F3N2OS/c1-2-3-6-17-9-5-4-8(18-12(13,14)15)7-10(9)19-11(17)16/h4-5,7,16H,2-3,6H2,1H3
InChIKey WQUPGJVOXHLZRE-UHFFFAOYSA-N
Molecular Weight 290.304 g/mol
SMILES N=C1N(c2ccc(OC(F)(F)F)cc2S1)CCCC
SPLASH splash10-00lr-0790000000-196447b8812a965b000c
Source of Spectrum F2-42-2837-44
Synonyms 3-butyl-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine [3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine
Wiley ID 1600303