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1,3,5-Triazine-2,4,6-triamine, N',N''-bis(3-fluorophenyl)-N,N-dihexyl-

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1,3,5-Triazine-2,4,6-triamine, N',N''-bis(3-fluorophenyl)-N,N-dihexyl-
SpectraBase Compound ID JXwSOAbnr09
InChI InChI=1S/C27H36F2N6/c1-3-5-7-9-17-35(18-10-8-6-4-2)27-33-25(30-23-15-11-13-21(28)19-23)32-26(34-27)31-24-16-12-14-22(29)20-24/h11-16,19-20H,3-10,17-18H2,1-2H3,(H2,30,31,32,33,34)
InChIKey IDCSJSQYZPEQDA-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C27H36F2N6
Exact Mass 482.296952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cz7zrgI4RLF
Name 1,3,5-Triazine-2,4,6-triamine, N',N''-bis(3-fluorophenyl)-N,N-dihexyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.296951509 u
Formula C27H36F2N6
InChI InChI=1S/C27H36F2N6/c1-3-5-7-9-17-35(18-10-8-6-4-2)27-33-25(30-23-15-11-13-21(28)19-23)32-26(34-27)31-24-16-12-14-22(29)20-24/h11-16,19-20H,3-10,17-18H2,1-2H3,(H2,30,31,32,33,34)
InChIKey IDCSJSQYZPEQDA-UHFFFAOYSA-N
Molecular Weight 482.624 g/mol
SMILES C1(=NC(=NC(=N1)NC1=CC(=CC=C1)F)N(CCCCCC)CCCCCC)NC1=CC(=CC=C1)F