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1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-hex-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
SpectraBase Compound ID 2w54iTZZbGK
InChI InChI=1S/C17H13Cl2F3N4/c1-2-3-4-5-6-24-15-9-12(10-23)25-26(15)16-13(18)7-11(8-14(16)19)17(20,21)22/h4-9H,2-3H2,1H3/b5-4+,24-6+
InChIKey YNJCPAABPVMSLL-XMKNAPCHSA-N
Mol Weight 401.22 g/mol
Molecular Formula C17H13Cl2F3N4
Exact Mass 400.046936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaARsOXm6BX
Name 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-hex-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
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Formula C17H13Cl2F3N4
InChI InChI=1S/C17H13Cl2F3N4/c1-2-3-4-5-6-24-15-9-12(10-23)25-26(15)16-13(18)7-11(8-14(16)19)17(20,21)22/h4-9H,2-3H2,1H3/b5-4+,24-6+
InChIKey YNJCPAABPVMSLL-XMKNAPCHSA-N
Instrument Name MicroMass GCT CA 055
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.224
Molecular Weight 401.220 g/mol
Reported Formula C17H13F3Cl2N4
SMILES c1(Cl)cc(cc(c1-[n]1nc(cc1\N=C\C=C\CCC)C#N)Cl)C(F)(F)F
SPLASH splash10-0fl0-4039500000-cc2e9500f1e1d191ffb5
Source of Spectrum ARK-2009-264-11
Wiley ID 1866615