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1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-2-methylpent-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
SpectraBase Compound ID La6SQPn8Cse
InChI InChI=1S/C17H13Cl2F3N4/c1-3-4-10(2)9-24-15-7-12(8-23)25-26(15)16-13(18)5-11(6-14(16)19)17(20,21)22/h4-7,9H,3H2,1-2H3/b10-4+,24-9+
InChIKey SCBJMBDDNDLIKG-TUYFGRNTSA-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 47TbyzwVXGH
Name 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-2-methylpent-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl2F3N4
InChI InChI=1S/C17H13Cl2F3N4/c1-3-4-10(2)9-24-15-7-12(8-23)25-26(15)16-13(18)5-11(6-14(16)19)17(20,21)22/h4-7,9H,3H2,1-2H3/b10-4+,24-9+
InChIKey SCBJMBDDNDLIKG-TUYFGRNTSA-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\CC)C)C#N)Cl)C(F)(F)F
SPLASH splash10-0udr-3027900000-b472ac413f12dfa09071
Source of Spectrum ARK-2009-267-28
Wiley ID 1866631