| SpectraBase Spectrum ID |
CgN4DsTiiqh |
| Name |
N-(p-Chlorobenzoyl)-3-(dimethylamino)-2-phenylalanine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.108420177 u |
| Formula |
C18H19ClN2O3 |
| InChI |
InChI=1S/C18H19ClN2O3/c1-21(2)12-18(17(23)24,14-6-4-3-5-7-14)20-16(22)13-8-10-15(19)11-9-13/h3-11H,12H2,1-2H3,(H,20,22)(H,23,24) |
| InChIKey |
FXQHORUQQSFPMP-UHFFFAOYSA-N |
| Molecular Weight |
346.814 g/mol |
| SMILES |
N(C(C1=CC=C(C=C1)Cl)=O)C(C(O)=O)(C=1C=CC=CC1)CN(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.7233 |
