| SpectraBase Spectrum ID |
9u3wP7nmKLp |
| Name |
2,5-Dimethyl-6-p-tolyl-3A,4,7,7A-tetrahydroisoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.141578854 u |
| Formula |
C17H19NO2 |
| InChI |
InChI=1S/C17H19NO2/c1-10-4-6-12(7-5-10)13-9-15-14(8-11(13)2)16(19)18(3)17(15)20/h4-7,14-15H,8-9H2,1-3H3 |
| InChIKey |
NOSLMOQXZWQYQH-UHFFFAOYSA-N |
| SMILES |
C1(N(C(C2CC(=C(CC12)C=1C=CC(=CC1)C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837711 |
