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2-(4-Methylphenyl)-N-[2-(phenylcarbonyl)-4-(2-phenylmethoxyethanoylamino)phenyl]ethanamide
SpectraBase Compound ID HLhFe2i6dmR
InChI InChI=1S/C31H28N2O4/c1-22-12-14-23(15-13-22)18-29(34)33-28-17-16-26(19-27(28)31(36)25-10-6-3-7-11-25)32-30(35)21-37-20-24-8-4-2-5-9-24/h2-17,19H,18,20-21H2,1H3,(H,32,35)(H,33,34)
InChIKey KEMGITKMWIUHRC-UHFFFAOYSA-N
Mol Weight 492.58 g/mol
Molecular Formula C31H28N2O4
Exact Mass 492.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4ashbsZLwh
Name 2-(4-Methylphenyl)-N-[2-(phenylcarbonyl)-4-(2-phenylmethoxyethanoylamino)phenyl]ethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.204907386 u
Formula C31H28N2O4
InChI InChI=1S/C31H28N2O4/c1-22-12-14-23(15-13-22)18-29(34)33-28-17-16-26(19-27(28)31(36)25-10-6-3-7-11-25)32-30(35)21-37-20-24-8-4-2-5-9-24/h2-17,19H,18,20-21H2,1H3,(H,32,35)(H,33,34)
InChIKey KEMGITKMWIUHRC-UHFFFAOYSA-N
Molecular Weight 492.575 g/mol
SMILES C(C(=O)NC=1C=C(C(NC(CC2=CC=C(C=C2)C)=O)=CC1)C(C=1C=CC=CC1)=O)OCC1=CC=CC=C1