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N-(Chloroacetyl)-2-phenyl-N-(p-tolyl)glycine, ethyl ester

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

N-(Chloroacetyl)-2-phenyl-N-(p-tolyl)glycine, ethyl ester
SpectraBase Compound ID 2wCz5FD4Qx6
InChI InChI=1S/C19H20ClNO3/c1-3-24-19(23)18(15-7-5-4-6-8-15)21(17(22)13-20)16-11-9-14(2)10-12-16/h4-12,18H,3,13H2,1-2H3
InChIKey CMKNCNFLUIXHJC-UHFFFAOYSA-N
Mol Weight 345.83 g/mol
Molecular Formula C19H20ClNO3
Exact Mass 345.113171 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3gYtcGfjeLK
Name N-(Chloroacetyl)-2-phenyl-N-(p-tolyl)glycine, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.113171205 u
Formula C19H20ClNO3
InChI InChI=1S/C19H20ClNO3/c1-3-24-19(23)18(15-7-5-4-6-8-15)21(17(22)13-20)16-11-9-14(2)10-12-16/h4-12,18H,3,13H2,1-2H3
InChIKey CMKNCNFLUIXHJC-UHFFFAOYSA-N
Molecular Weight 345.826 g/mol
SMILES C(Cl)C(N(C=1C=CC(=CC1)C)C(C(OCC)=O)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.957415