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(Z)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzenecarboximidate
SpectraBase Compound ID bYgToFVFVh
InChI InChI=1S/C27H19ClN4O/c28-23-18-16-20(17-19-23)25-29-31(24-14-8-3-9-15-24)27(22-12-6-2-7-13-22)32(25)30-26(33)21-10-4-1-5-11-21/h1-19H
InChIKey FTKXCKIWVFEJTH-UHFFFAOYSA-N
Mol Weight 450.93 g/mol
Molecular Formula C27H19ClN4O
Exact Mass 450.124739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY8efgXSrMi
Name (Z)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzenecarboximidate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19ClN4O
InChI InChI=1S/C27H19ClN4O/c28-23-18-16-20(17-19-23)25-29-31(24-14-8-3-9-15-24)27(22-12-6-2-7-13-22)32(25)30-26(33)21-10-4-1-5-11-21/h1-19H
InChIKey FTKXCKIWVFEJTH-UHFFFAOYSA-N
Molecular Weight 450.929 g/mol
SMILES c1([n+](c(n[n]1-c1ccccc1)-c1ccc(cc1)Cl)[N-]C(=O)c1ccccc1)-c1ccccc1
SPLASH splash10-00kf-9611000000-8f30c34dc2c631c5fb47
Source of Spectrum Y-33-594-11
Wiley ID 1387792