| SpectraBase Spectrum ID |
ANb7YeDpYr5 |
| Name |
(3A.alpha.,4.alpha.,7.alpha.,7A.alpha.)-8,8-Diethoxy-3A,4,7,7A-tetrahydro-2-phenyl-4,7-methano-1H-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 |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-3-23-19(24-4-2)13-10-11-14(19)16-15(13)17(21)20(18(16)22)12-8-6-5-7-9-12/h5-11,13-16H,3-4H2,1-2H3/t13-,14+,15+,16- |
| InChIKey |
YNHIUXTVEWMECA-SYMSYNOKSA-N |
| Molecular Weight |
327.380 g/mol |
| SMILES |
C1(N(C([C@]2([C@]3(C=C[C@@]([C@@]12[H])(C3(OCC)OCC)[H])[H])[H])=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931571 |
