| SpectraBase Spectrum ID |
6qPxZzbEGEv |
| Name |
2-(4-Methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.189591674 u |
| Formula |
C27H25N3O3 |
| InChI |
InChI=1S/C27H25N3O3/c1-19-7-10-22(11-8-19)30-26(32)23-12-9-21(17-24(23)27(30)33)25(31)29-15-13-28(14-16-29)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3 |
| InChIKey |
OXZRYTMNFWBRLD-UHFFFAOYSA-N |
| Molecular Weight |
439.515 g/mol |
| SMILES |
C1=CC=CC=C1CN1CCN(CC1)C(=O)C1=CC=C2C(C(=O)N(C2=O)C=2C=CC(=CC2)C)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812164 |
![2-(4-Methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione](/api/spectrum/6qPxZzbEGEv/structure.png?h=300&w=458 "2-(4-Methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione")
