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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PwvsoBVB92
Name N-4'-chloro-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine
Alternate Name(s) (3S)-3-[({[(E)-1-(4-chlorophenyl)-2-phenylethenyl]oxy}acetyl)amino]-3-phenylpropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(CC(=O)O)c1ccccc1)C(=O)COc1ccc(\C=C\c2ccc(cc2)Cl)cc1
SPLASH splash10-000i-2040900000-1e6eeefc8ac7cc92ab64
Source of Spectrum O-29-347-0
Wiley ID 1383261