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1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-pent-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
SpectraBase Compound ID A7VtyhAoxR9
InChI InChI=1S/C16H11Cl2F3N4/c1-2-3-4-5-23-14-8-11(9-22)24-25(14)15-12(17)6-10(7-13(15)18)16(19,20)21/h3-8H,2H2,1H3/b4-3+,23-5+
InChIKey WNCPRKQYMXDXIY-WWOPUVJDSA-N
Mol Weight 387.19 g/mol
Molecular Formula C16H11Cl2F3N4
Exact Mass 386.031286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4bnama2ba4
Name 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-pent-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
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Formula C16H11Cl2F3N4
InChI InChI=1S/C16H11Cl2F3N4/c1-2-3-4-5-23-14-8-11(9-22)24-25(14)15-12(17)6-10(7-13(15)18)16(19,20)21/h3-8H,2H2,1H3/b4-3+,23-5+
InChIKey WNCPRKQYMXDXIY-WWOPUVJDSA-N
Instrument Name MicroMass GCT CA 055
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.224
Molecular Weight 387.193 g/mol
Reported Formula C16H11F3Cl2N4
SMILES c1(Cl)cc(cc(c1-[n]1nc(cc1\N=C\C=C\CC)C#N)Cl)C(F)(F)F
SPLASH splash10-0f79-2029000000-08da8685bbb28618bed4
Source of Spectrum ARK-2009-263-10
Wiley ID 1866614