| SpectraBase Spectrum ID |
51q93AoY7qS |
| Name |
1H-Isoindol-1-one, 2,3,3A,6,7,7A-hexahydro-2-phenyl-, trans-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.115364106 u |
| Formula |
C14H15NO |
| InChI |
InChI=1S/C14H15NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h1-4,6-8,11,13H,5,9-10H2 |
| InChIKey |
MSAPSSMGTFBPPF-UHFFFAOYSA-N |
| Molecular Weight |
213.280 g/mol |
| SMILES |
C1(N(CC2C=CCCC12)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976479 |
