![4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(methylenedi-4,1-phenylene)bis[3a,4,7,7a-tetrahydro-, [2(3'aR*,4'S*,7'R*,7'aS*),3a.alpha.,4.alpha.,7.alpha.,7a.alpha.]-](/api/spectrum/28EBBo4i9BK/structure.png?h=300&w=458 "4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(methylenedi-4,1-phenylene)bis[3a,4,7,7a-tetrahydro-, [2(3'aR*,4'S*,7'R*,7'aS*),3a.alpha.,4.alpha.,7.alpha.,7a.alpha.]-")
| SpectraBase Compound ID | 2ExXwJUb3d7 |
|---|---|
| InChI | InChI=1S/C31H26N2O4/c34-28-24-18-5-6-19(14-18)25(24)29(35)32(28)22-9-1-16(2-10-22)13-17-3-11-23(12-4-17)33-30(36)26-20-7-8-21(15-20)27(26)31(33)37/h1-12,18-21,24-27H,13-15H2 |
| InChIKey | LTSYMGSWVPHCEO-UHFFFAOYSA-N |
| Mol Weight | 490.56 g/mol |
| Molecular Formula | C31H26N2O4 |
| Exact Mass | 490.189257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 28EBBo4i9BK |
|---|---|
| Name | 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(methylenedi-4,1-phenylene)bis[3A,4,7,7A-tetrahydro-, [2(3'ar*,4'S*,7'R*,7'as*),3A.alpha.,4.alpha.,7.alpha.,7A.alpha.]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.189257321 u |
| Formula | C31H26N2O4 |
| InChI | InChI=1S/C31H26N2O4/c34-28-24-18-5-6-19(14-18)25(24)29(35)32(28)22-9-1-16(2-10-22)13-17-3-11-23(12-4-17)33-30(36)26-20-7-8-21(15-20)27(26)31(33)37/h1-12,18-21,24-27H,13-15H2 |
| InChIKey | LTSYMGSWVPHCEO-UHFFFAOYSA-N |
| Molecular Weight | 490.559 g/mol |
| SMILES | C1(N(C(C2C3C=CC(C12)C3)=O)C=1C=CC(=CC1)CC1=CC=C(N2C(C3C4C=CC(C3C2=O)C4)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804866 |