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.alpha.-[(4'-Pyridyl)imino]aminocarbonyl}methyl- .alpha.-[4'-stilbenyloxymethyl)aminocarbonyl]toluene
SpectraBase Compound ID GwKDlDB3A2K
InChI InChI=1S/C31H28N4O3/c36-30(35-33-22-26-17-19-32-20-18-26)21-29(27-9-5-2-6-10-27)34-31(37)23-38-28-15-13-25(14-16-28)12-11-24-7-3-1-4-8-24/h1-20,22,29H,21,23H2,(H,34,37)(H,35,36)/b12-11+,33-22+
InChIKey ZTDGTOPFAJFLMB-RCEKVJSISA-N
Mol Weight 504.59 g/mol
Molecular Formula C31H28N4O3
Exact Mass 504.216141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UmKhGfTTFz
Name .alpha.-[(4'-pyridyl)imino]aminocarbonyl}methyl- .alpha.-[4'-stilbenyloxymethyl)aminocarbonyl]toluene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.216140775 u
Formula C31H28N4O3
InChI InChI=1S/C31H28N4O3/c36-30(35-33-22-26-17-19-32-20-18-26)21-29(27-9-5-2-6-10-27)34-31(37)23-38-28-15-13-25(14-16-28)12-11-24-7-3-1-4-8-24/h1-20,22,29H,21,23H2,(H,34,37)(H,35,36)/b12-11+,33-22+
InChIKey ZTDGTOPFAJFLMB-RCEKVJSISA-N
Molecular Weight 504.590 g/mol
SMILES C(C(NC(=O)COC=1C=CC(\C=C\C2=CC=CC=C2)=CC1)C1=CC=CC=C1)C(N\N=C\C=1C=CN=CC1)=O