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N-carboxy-3-phenyl-D,L-alanine, N-benzyl pentachlorophenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N-carboxy-3-phenyl-D,L-alanine, N-benzyl pentachlorophenyl ester
SpectraBase Compound ID GCTLcHWFvJx
InChI InChI=1S/C23H16Cl5NO4/c24-16-17(25)19(27)21(20(28)18(16)26)33-22(30)15(11-13-7-3-1-4-8-13)29-23(31)32-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,29,31)
InChIKey JMMQXIKTWGCUMQ-UHFFFAOYSA-N
Mol Weight 547.6 g/mol
Molecular Formula C23H16Cl5NO4
Exact Mass 544.952196 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ICLVeAqI2ni
Name N-CARBOXY-3-PHENYL-DL-ALANINE, N-BENZYL PENTACHLOROPHENYL ESTER
Source of Sample G. Kupryszewski, Wyzsza Szkola Pedagogiczna, Gdansk, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16Cl5NO4
InChI InChI=1S/C23H16Cl5NO4/c24-16-17(25)19(27)21(20(28)18(16)26)33-22(30)15(11-13-7-3-1-4-8-13)29-23(31)32-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,29,31)
InChIKey JMMQXIKTWGCUMQ-UHFFFAOYSA-N
Melting Point 167.5-169.0C
Molecular Weight 547.633972
Synonyms ALANINE, N-CARBOXY-3-PHENYL-, DL-, N-BENZYL PENTACHLOROPHENYL ESTER ALANINE, N-BENZYLOXYCARBONYL-3- PHENYL-, DL-, PENTACHLOROPHENYL ESTER
Technique KBr WAFER