| SpectraBase Spectrum ID |
KZy3Kq8QBFa |
| Name |
(3ar,9ar,9bs)-5,7,8-Trimethyl-2-phenyl-3A,4,6,9,9A,9B-hexahydro-1H-benzo[E]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 |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-12-9-16-14(3)11-18-19(17(16)10-13(12)2)21(24)22(20(18)23)15-7-5-4-6-8-15/h4-8,17-19H,9-11H2,1-3H3/t17-,18+,19-/m0/s1 |
| InChIKey |
IZAZCEMSXYUHFO-OTWHNJEPSA-N |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C1(N(C([C@]2([C@@]3(C(=C(C[C@@]12[H])C)CC(=C(C3)C)C)[H])[H])=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833289 |
![(3aR,9aR,9bS)-5,7,8-Trimethyl-2-phenyl-3a,4,6,9,9a,9b-hexahydro-1H-benzo[e]isoindole-1,3(2H)-dione](/api/spectrum/KZy3Kq8QBFa/structure.png?h=300&w=458 "(3aR,9aR,9bS)-5,7,8-Trimethyl-2-phenyl-3a,4,6,9,9a,9b-hexahydro-1H-benzo[e]isoindole-1,3(2H)-dione")
