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6-(1-imidazolyl)-N4-methyl-N4-phenyl-N2-prop-2-enyl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID L0zLEYO2tch
InChI InChI=1S/C16H17N7/c1-3-9-18-14-19-15(22(2)13-7-5-4-6-8-13)21-16(20-14)23-11-10-17-12-23/h3-8,10-12H,1,9H2,2H3,(H,18,19,20,21)
InChIKey IRAYYTVQMGEHAY-UHFFFAOYSA-N
Mol Weight 307.36 g/mol
Molecular Formula C16H17N7
Exact Mass 307.154544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xNGXGgfYry
Name 6-(1-Imidazolyl)-N4-methyl-N4-phenyl-N2-prop-2-enyl-1,3,5-triazine-2,4-diamine
Comments Computed using HOSE algorithm
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Exact Mass 307.154543575 u
Formula C16H17N7
InChI InChI=1S/C16H17N7/c1-3-9-18-14-19-15(22(2)13-7-5-4-6-8-13)21-16(20-14)23-11-10-17-12-23/h3-8,10-12H,1,9H2,2H3,(H,18,19,20,21)
InChIKey IRAYYTVQMGEHAY-UHFFFAOYSA-N
Molecular Weight 307.361 g/mol
SMILES C=1(N=C(N2C=NC=C2)N=C(N1)NCC=C)N(C1=CC=CC=C1)C