| SpectraBase Spectrum ID |
CLcXD9gELz |
| Name |
1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.134969277 u |
| Formula |
C22H22ClN3O3 |
| InChI |
InChI=1S/C22H22ClN3O3/c1-15-6-7-16(14-19(15)23)24-10-12-25(13-11-24)20(27)8-9-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,14H,8-13H2,1H3 |
| InChIKey |
KZRDXJKUNZGQIP-UHFFFAOYSA-N |
| Molecular Weight |
411.889 g/mol |
| SMILES |
C(N1CCN(CC1)C1=CC(Cl)=C(C=C1)C)(CCN1C(C2=CC=CC=C2C1=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943037 |
![1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine](/api/spectrum/CLcXD9gELz/structure.png?h=300&w=458 "1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine")
