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N-4'-chloro-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine

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N-4'-chloro-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine
SpectraBase Compound ID 7dQhhizEbUI
InChI InChI=1S/C25H22ClNO4/c26-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)31-17-24(28)27-23(16-25(29)30)20-4-2-1-3-5-20/h1-15,23H,16-17H2,(H,27,28)(H,29,30)/b7-6+
InChIKey ZRFBCVNQNJTVDL-VOTSOKGWSA-N
Mol Weight 435.91 g/mol
Molecular Formula C25H22ClNO4
Exact Mass 435.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O7SEploTXJ
Name N-4'-Chloro-(E)-stilbenyloxymethylcarbonyl-B-phenyl-B-alanine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.123735888 u
Formula C25H22ClNO4
InChI InChI=1S/C25H22ClNO4/c26-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)31-17-24(28)27-23(16-25(29)30)20-4-2-1-3-5-20/h1-15,23H,16-17H2,(H,27,28)(H,29,30)/b7-6+
InChIKey ZRFBCVNQNJTVDL-VOTSOKGWSA-N
Molecular Weight 435.907 g/mol
SMILES C(C(NC(=O)COC=1C=CC(\C=C\C2=CC=C(C=C2)Cl)=CC1)C1=CC=CC=C1)C(=O)O