| SpectraBase Spectrum ID |
A1KrWSqkrZN |
| Name |
alpha-{2-[(p-Chlorophenyl)carbamoyl]ethyl}-1,3,-dioxo-2-isoindolineacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.066949286 u |
| Formula |
C19H15ClN2O5 |
| InChI |
InChI=1S/C19H15ClN2O5/c20-11-5-7-12(8-6-11)21-16(23)10-9-15(19(26)27)22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15H,9-10H2,(H,21,23)(H,26,27) |
| InChIKey |
LVKPWFFRLJRHSV-UHFFFAOYSA-N |
| Molecular Weight |
386.791 g/mol |
| SMILES |
N(C(CCC(C(O)=O)N1C(C=2C=CC=CC2C1=O)=O)=O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.841302 |
![alpha-{2-[(p-Chlorophenyl)carbamoyl]ethyl}-1,3,-dioxo-2-isoindolineacetic acid](/api/spectrum/A1KrWSqkrZN/structure.png?h=300&w=458 "alpha-{2-[(p-Chlorophenyl)carbamoyl]ethyl}-1,3,-dioxo-2-isoindolineacetic acid")
