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(4-Imidazol-1-yl-6-pyrrolidino-S-triazin-2-yl)-diphenyl-amine
SpectraBase Compound ID LnFCsrKKFdT
InChI InChI=1S/C22H21N7/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)22-25-20(27-14-7-8-15-27)24-21(26-22)28-16-13-23-17-28/h1-6,9-13,16-17H,7-8,14-15H2
InChIKey VTRDOUXFVDTUID-UHFFFAOYSA-N
Mol Weight 383.46 g/mol
Molecular Formula C22H21N7
Exact Mass 383.185844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0Z8GGPzqYk
Name (4-Imidazol-1-yl-6-pyrrolidino-S-triazin-2-yl)-diphenyl-amine
Comments Computed using HOSE algorithm
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Exact Mass 383.185843704 u
Formula C22H21N7
InChI InChI=1S/C22H21N7/c1-3-9-18(10-4-1)29(19-11-5-2-6-12-19)22-25-20(27-14-7-8-15-27)24-21(26-22)28-16-13-23-17-28/h1-6,9-13,16-17H,7-8,14-15H2
InChIKey VTRDOUXFVDTUID-UHFFFAOYSA-N
Molecular Weight 383.459 g/mol
SMILES C=1(N=C(N2C=NC=C2)N=C(N1)N1CCCC1)N(C1=CC=CC=C1)C1=CC=CC=C1