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N-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine

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N-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine
SpectraBase Compound ID 4iDoxZvZtqE
InChI InChI=1S/C25H23NO4/c27-24(26-23(17-25(28)29)21-9-5-2-6-10-21)18-30-22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23H,17-18H2,(H,26,27)(H,28,29)/b12-11+/t23-/m0/s1
InChIKey NVWUKVZQEWHKSP-RGPPVUSESA-N
Mol Weight 401.46 g/mol
Molecular Formula C25H23NO4
Exact Mass 401.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmgzyRBuUm4
Name N-(E)-Stilbenyloxymethylcarbonyl-B-phenyl-B-alanine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.162708221 u
Formula C25H23NO4
InChI InChI=1S/C25H23NO4/c27-24(26-23(17-25(28)29)21-9-5-2-6-10-21)18-30-22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23H,17-18H2,(H,26,27)(H,28,29)/b12-11+/t23-/m0/s1
InChIKey NVWUKVZQEWHKSP-RGPPVUSESA-N
Molecular Weight 401.462 g/mol
SMILES C([C@](NC(=O)COC=1C=CC(\C=C\C=2C=CC=CC2)=CC1)(C1=CC=CC=C1)[H])C(=O)O