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(E)-N'-[(4-Fluorophenyl)sulfonyl]-N-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]acetimidamide
SpectraBase Compound ID CVVJ3SZrikp
InChI InChI=1S/C16H12F4N4O2S/c1-9(24-27(25,26)12-5-3-11(17)4-6-12)21-15-22-13-7-2-10(16(18,19)20)8-14(13)23-15/h2-8H,1H3,(H2,21,22,23,24)
InChIKey XTHYCGNHGFJWJS-UHFFFAOYSA-N
Mol Weight 400.35 g/mol
Molecular Formula C16H12F4N4O2S
Exact Mass 400.061709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MbJZj1zCBn
Name (E)-N'-[(4-Fluorophenyl)sulfonyl]-N-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]acetimidamide
Appearance Colorless powder
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Formula C16H12F4N4O2S
InChI InChI=1S/C16H12F4N4O2S/c1-9(24-27(25,26)12-5-3-11(17)4-6-12)21-15-22-13-7-2-10(16(18,19)20)8-14(13)23-15/h2-8H,1H3,(H2,21,22,23,24)
InChIKey XTHYCGNHGFJWJS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 400.352 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(F)(F)F)N\C(C)=N\S(=O)(c1ccc(cc1)F)=O
SPLASH splash10-0002-9670100000-23001f9e025781f7eea9
Source of Spectrum ARK-2017-234-4e
Wiley ID 1840884