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(4-Imidazol-1-yl-6-morpholino-S-triazin-2-yl)-diphenyl-amine
SpectraBase Compound ID GSu2vPCPOek
InChI InChI=1S/C22H21N7O/c1-3-7-18(8-4-1)29(19-9-5-2-6-10-19)22-25-20(27-13-15-30-16-14-27)24-21(26-22)28-12-11-23-17-28/h1-12,17H,13-16H2
InChIKey JGZZOBASRXHWRQ-UHFFFAOYSA-N
Mol Weight 399.46 g/mol
Molecular Formula C22H21N7O
Exact Mass 399.180758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GyU2lIwwllp
Name (4-Imidazol-1-yl-6-morpholino-S-triazin-2-yl)-diphenyl-amine
Comments Computed using HOSE algorithm
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Exact Mass 399.180758323 u
Formula C22H21N7O
InChI InChI=1S/C22H21N7O/c1-3-7-18(8-4-1)29(19-9-5-2-6-10-19)22-25-20(27-13-15-30-16-14-27)24-21(26-22)28-12-11-23-17-28/h1-12,17H,13-16H2
InChIKey JGZZOBASRXHWRQ-UHFFFAOYSA-N
Molecular Weight 399.458 g/mol
SMILES C=1(N=C(N2C=NC=C2)N=C(N1)N1CCOCC1)N(C1=CC=CC=C1)C1=CC=CC=C1