| SpectraBase Spectrum ID |
F70OdvYUy47 |
| Name |
1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.140054658 u |
| Formula |
C21H22ClN3O2 |
| InChI |
InChI=1S/C21H22ClN3O2/c1-15-6-7-16(14-19(15)22)24-11-8-23(9-12-24)10-13-25-20(26)17-4-2-3-5-18(17)21(25)27/h2-7,14H,8-13H2,1H3 |
| InChIKey |
DALBIIARTOXBMW-UHFFFAOYSA-N |
| Molecular Weight |
383.879 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(N(C2=O)CCN1CCN(CC1)C1=CC(=C(C=C1)C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961901 |
![1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine](/api/spectrum/F70OdvYUy47/structure.png?h=300&w=458 "1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine")
