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1,3,5-Triazine-2,4,6-triamine, N',N''-bis(2-fluorophenyl)-N,N-dihexyl-
SpectraBase Compound ID 1cxqWSUbH3a
InChI InChI=1S/C27H36F2N6/c1-3-5-7-13-19-35(20-14-8-6-4-2)27-33-25(30-23-17-11-9-15-21(23)28)32-26(34-27)31-24-18-12-10-16-22(24)29/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3,(H2,30,31,32,33,34)
InChIKey DXEPGQDRQPPMDJ-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 JDEMIX0E8Td
Name 1,3,5-Triazine-2,4,6-triamine, N',N''-bis(2-fluorophenyl)-N,N-dihexyl-
Comments Computed using HOSE algorithm
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Exact Mass 482.296951509 u
Formula C27H36F2N6
InChI InChI=1S/C27H36F2N6/c1-3-5-7-13-19-35(20-14-8-6-4-2)27-33-25(30-23-17-11-9-15-21(23)28)32-26(34-27)31-24-18-12-10-16-22(24)29/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3,(H2,30,31,32,33,34)
InChIKey DXEPGQDRQPPMDJ-UHFFFAOYSA-N
Molecular Weight 482.624 g/mol
SMILES C1(=NC(=NC(=N1)NC1=C(C=CC=C1)F)N(CCCCCC)CCCCCC)NC1=C(C=CC=C1)F