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1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-hept-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
SpectraBase Compound ID 1dt8QFuZRPD
InChI InChI=1S/C18H15Cl2F3N4/c1-2-3-4-5-6-7-25-16-10-13(11-24)26-27(16)17-14(19)8-12(9-15(17)20)18(21,22)23/h5-10H,2-4H2,1H3/b6-5+,25-7+
InChIKey DLCBXMORMWERLC-LKPHEAAOSA-N
Mol Weight 415.25 g/mol
Molecular Formula C18H15Cl2F3N4
Exact Mass 414.062586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U4yKsUHIgB
Name 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-5-((E)-((E)-hept-2-enylidene)amino)-1H-pyrazole-3-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15Cl2F3N4
InChI InChI=1S/C18H15Cl2F3N4/c1-2-3-4-5-6-7-25-16-10-13(11-24)26-27(16)17-14(19)8-12(9-15(17)20)18(21,22)23/h5-10H,2-4H2,1H3/b6-5+,25-7+
InChIKey DLCBXMORMWERLC-LKPHEAAOSA-N
Instrument Name MicroMass GCT CA 055
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.224
Molecular Weight 415.247 g/mol
Reported Formula C18H15F3Cl2N4
SMILES c1(Cl)cc(cc(c1-[n]1nc(cc1\N=C\C=C\CCCC)C#N)Cl)C(F)(F)F
SPLASH splash10-059i-0029100000-d08ed8bf2d234f751d12
Source of Spectrum ARK-2009-264-12
Wiley ID 1866616