| SpectraBase Spectrum ID |
2EOAmcgWMY4 |
| Name |
2-{3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.101082326 u |
| Formula |
C21H21Cl2N3O2 |
| InChI |
InChI=1S/C21H21Cl2N3O2/c22-17-7-3-8-18(19(17)23)25-13-11-24(12-14-25)9-4-10-26-20(27)15-5-1-2-6-16(15)21(26)28/h1-3,5-8H,4,9-14H2 |
| InChIKey |
IVNUWJBUYONQPD-UHFFFAOYSA-N |
| Molecular Weight |
418.324 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCCN1CCN(CC1)C=1C(=C(C=CC1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937638 |
![2-{3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione](/api/spectrum/2EOAmcgWMY4/structure.png?h=300&w=458 "2-{3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione")
