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4-N-[(E)-(2-chlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SpectraBase Compound ID 7nkjYhdkSc
InChI InChI=1S/C18H17ClFN7/c1-27(2)18-24-16(22-14-9-7-13(20)8-10-14)23-17(25-18)26-21-11-12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H2,22,23,24,25,26)/b21-11+
InChIKey FZRCHQPFVGWVBL-SRZZPIQSSA-N
Mol Weight 385.83 g/mol
Molecular Formula C18H17ClFN7
Exact Mass 385.121799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNDpW52LPiG
Name 4-N-[(E)-(2-Chlorophenyl)methylideneamino]-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.121799438 u
Formula C18H17ClFN7
InChI InChI=1S/C18H17ClFN7/c1-27(2)18-24-16(22-14-9-7-13(20)8-10-14)23-17(25-18)26-21-11-12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H2,22,23,24,25,26)/b21-11+
InChIKey FZRCHQPFVGWVBL-SRZZPIQSSA-N
Molecular Weight 385.834 g/mol
SMILES C1(=NC(NC2=CC=C(C=C2)F)=NC(=N1)N\N=C\C1=C(Cl)C=CC=C1)N(C)C