| SpectraBase Spectrum ID |
wWTGQoB7jC |
| Name |
N-Carboxy-3-phenyl-dl-alanine, N-benzyl 2,4,6-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.030141160 u |
| Formula |
C23H18Cl3NO4 |
| InChI |
InChI=1S/C23H18Cl3NO4/c24-17-12-18(25)21(19(26)13-17)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 |
KBPZYOAAGBZRRR-UHFFFAOYSA-N |
| Molecular Weight |
478.759 g/mol |
| SMILES |
N(C(C(OC=1C(=CC(=CC1Cl)Cl)Cl)=O)CC=1C=CC=CC1)C(=O)OCC=1C=CC=CC1 |
