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cyclohexanone [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
SpectraBase Compound ID HACqsUvdQxj
InChI InChI=1S/C20H23ClN8/c1-13-12-14(2)29(28-13)20-24-18(22-16-10-8-15(21)9-11-16)23-19(25-20)27-26-17-6-4-3-5-7-17/h8-12H,3-7H2,1-2H3,(H2,22,23,24,25,27)
InChIKey DFIUWMINRLAAFQ-UHFFFAOYSA-N
Mol Weight 410.91 g/mol
Molecular Formula C20H23ClN8
Exact Mass 410.17342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G18PqJGRkcl
Name Cyclohexanone [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.173420473 u
Formula C20H23ClN8
InChI InChI=1S/C20H23ClN8/c1-13-12-14(2)29(28-13)20-24-18(22-16-10-8-15(21)9-11-16)23-19(25-20)27-26-17-6-4-3-5-7-17/h8-12H,3-7H2,1-2H3,(H2,22,23,24,25,27)
InChIKey DFIUWMINRLAAFQ-UHFFFAOYSA-N
Molecular Weight 410.913 g/mol
SMILES N(C1=NC(=NC(=N1)N1N=C(C)C=C1C)NN=C1CCCCC1)C=1C=CC(=CC1)Cl