| SpectraBase Spectrum ID |
9pTvDjweMZh |
| Name |
2-(4-Amino-phenyl)-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.074227568 u |
| Formula |
C14H10N2O2 |
| InChI |
InChI=1S/C14H10N2O2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,15H2 |
| InChIKey |
MWUCSURZWUDISB-UHFFFAOYSA-N |
| Molecular Weight |
238.246 g/mol |
| SMILES |
C1=CC=2C(N(C(=O)C2C=C1)C1=CC=C(C=C1)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889976 |
