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L-N-carboxy-3-phenylalanine, N-benzyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID J0m5mQ8KjCy
InChI InChI=1S/C23H18Cl3NO4/c24-17-12-19(26)21(13-18(17)25)31-22(28)20(11-15-7-3-1-4-8-15)27-23(29)30-14-16-9-5-2-6-10-16/h1-10,12-13,20H,11,14H2,(H,27,29)
InChIKey DQUNNSOIEICROK-UHFFFAOYSA-N
Mol Weight 478.76 g/mol
Molecular Formula C23H18Cl3NO4
Exact Mass 477.030141 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7giWbhcDNSk
Name L-N-CARBOXY-3-PHENYLALANINE, N-BENZYL 2,4,5-TRICHLOROPHENYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18Cl3NO4
InChI InChI=1S/C23H18Cl3NO4/c24-17-12-19(26)21(13-18(17)25)31-22(28)20(11-15-7-3-1-4-8-15)27-23(29)30-14-16-9-5-2-6-10-16/h1-10,12-13,20H,11,14H2,(H,27,29)
InChIKey DQUNNSOIEICROK-UHFFFAOYSA-N
Melting Point 139-141C
Molecular Weight 478.76
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ALANINE, N-CARBOXY-3-PHENYL-, N- BENZYL 2,4,5-TRICHLOROPHENYL ESTER, L-,