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cyclohexanone [4-(4-bromoanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
SpectraBase Compound ID BUGub4Iflsw
InChI InChI=1S/C20H23BrN8/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 HJGXEHYUORJEDJ-UHFFFAOYSA-N
Mol Weight 455.36 g/mol
Molecular Formula C20H23BrN8
Exact Mass 454.122906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TKOYVawqyi
Name Cyclohexanone [4-(4-bromoanilino)-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 454.122905773 u
Formula C20H23BrN8
InChI InChI=1S/C20H23BrN8/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 HJGXEHYUORJEDJ-UHFFFAOYSA-N
Molecular Weight 455.364 g/mol
SMILES N(C=1N=C(N=C(N1)N1N=C(C)C=C1C)NN=C1CCCCC1)C=1C=CC(=CC1)Br