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N-(4-Chlorobenzylidene)-(R)-phenylalanine methyl ester
SpectraBase Compound ID 7woGNqJwt86
InChI InChI=1S/C17H16ClNO2/c1-21-17(20)16(11-13-5-3-2-4-6-13)19-12-14-7-9-15(18)10-8-14/h2-10,12,16H,11H2,1H3/b19-12+/t16-/m1/s1
InChIKey KCAWLBQPKIIOAP-PUMYGXPMSA-N
Mol Weight 301.77 g/mol
Molecular Formula C17H16ClNO2
Exact Mass 301.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIPYKmRV9GL
Name N-(4-Chlorobenzylidene)-(R)-phenylalanine methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNO2
InChI InChI=1S/C17H16ClNO2/c1-21-17(20)16(11-13-5-3-2-4-6-13)19-12-14-7-9-15(18)10-8-14/h2-10,12,16H,11H2,1H3/b19-12+/t16-/m1/s1
InChIKey KCAWLBQPKIIOAP-PUMYGXPMSA-N
Molecular Weight 301.773 g/mol
SMILES [C@@](\N=C\c1ccc(cc1)Cl)(C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-03di-0090000000-d9d597fa2cf1bbbd7f3f
Source of Spectrum F-51-6322-5
Synonyms Methyl (2R)-2-{[(E)-(4-chlorophenyl)methylidene]amino}-3-phenylpropanoate N-(4-Chlorobenzylidene)-(RS)-phenylalanine methyl ester
Wiley ID 792241