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3-Allyl-4-benzamido-1-benzoyl-2,4-bis(4-tolyl)-1-azabuta-1,3-diene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Allyl-4-benzamido-1-benzoyl-2,4-bis(4-tolyl)-1-azabuta-1,3-diene
SpectraBase Compound ID 4Wh9N8FvTfd
InChI InChI=1S/C34H30N2O2/c1-4-11-30(31(26-20-16-24(2)17-21-26)35-33(37)28-12-7-5-8-13-28)32(27-22-18-25(3)19-23-27)36-34(38)29-14-9-6-10-15-29/h4-10,12-23H,1,11H2,2-3H3,(H,35,37)/b31-30+,36-32+
InChIKey GDXZIDBCKFSMLN-QXLXMZJHSA-N
Mol Weight 498.6 g/mol
Molecular Formula C34H30N2O2
Exact Mass 498.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4V9dQS74HBm
Name 3-Allyl-4-benzamido-1-benzoyl-2,4-bis(4-tolyl)-1-azabuta-1,3-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.230728212 u
Formula C34H30N2O2
InChI InChI=1S/C34H30N2O2/c1-4-11-30(31(26-20-16-24(2)17-21-26)35-33(37)28-12-7-5-8-13-28)32(27-22-18-25(3)19-23-27)36-34(38)29-14-9-6-10-15-29/h4-10,12-23H,1,11H2,2-3H3,(H,35,37)/b31-30+,36-32+
InChIKey GDXZIDBCKFSMLN-QXLXMZJHSA-N
Molecular Weight 498.626 g/mol
SMILES C(N\C(=C\(\C(=N\C(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)CC=C)C=1C=CC(=CC1)C)(=O)C=1C=CC=CC1