| SpectraBase Spectrum ID |
5D4O790mkcM |
| Name |
syn-4,5,6,7-Tetracyclopropyl-2-phenyl-3A,4,7,7A-tetrahydro-1H-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.219829176 u |
| Formula |
C26H29NO2 |
| InChI |
InChI=1S/C26H29NO2/c28-25-23-21(16-10-11-16)19(14-6-7-14)20(15-8-9-15)22(17-12-13-17)24(23)26(29)27(25)18-4-2-1-3-5-18/h1-5,14-17,21-24H,6-13H2 |
| InChIKey |
LCCMKCHISPCDCP-UHFFFAOYSA-N |
| Molecular Weight |
387.523 g/mol |
| SMILES |
C1(N(C(C2C(C(=C(C(C12)C1CC1)C1CC1)C1CC1)C1CC1)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908929 |
