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N-4'-chloro-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine methyl ester
SpectraBase Compound ID 2Iav9TE6VF
InChI InChI=1S/C26H24ClNO4/c1-31-26(30)17-23(20-10-6-3-7-11-20)28-25(29)18-32-24(16-19-8-4-2-5-9-19)21-12-14-22(27)15-13-21/h2-16,23H,17-18H2,1H3,(H,28,29)/b24-16+/t23-/m0/s1
InChIKey KRAFVIXAQWFUTL-JECJHWOISA-N
Mol Weight 449.93 g/mol
Molecular Formula C26H24ClNO4
Exact Mass 449.139386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jhdKInxEkG
Name N-4'-chloro-(E)-stilbenyloxymethylcarbonyl-b-phenyl-b-alanine methyl ester
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Formula C26H24ClNO4
InChI InChI=1S/C26H24ClNO4/c1-31-26(30)17-23(20-10-6-3-7-11-20)28-25(29)18-32-24(16-19-8-4-2-5-9-19)21-12-14-22(27)15-13-21/h2-16,23H,17-18H2,1H3,(H,28,29)/b24-16+/t23-/m0/s1
InChIKey KRAFVIXAQWFUTL-JECJHWOISA-N
Molecular Weight 449.934 g/mol
SMILES N([C@@](CC(=O)OC)(c1ccccc1)[H])C(CO\C(=C\c1ccccc1)c1ccc(cc1)Cl)=O
SPLASH splash10-0f8m-3090700000-f5baf028c7dcd3bea652
Source of Spectrum O-29-347-0
Synonyms Methyl (3S)-3-[({[(E)-1-(4-chlorophenyl)-2-phenylethenyl]oxy}acetyl)amino]-3-phenylpropanoate
Wiley ID 1387461