| SpectraBase Spectrum ID |
DIxicCOSrkk |
| Name |
1-Heptyl-3,3A,4,5-tetrahydro-1H-indole-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-16-14-11-13(17)8-7-12(14)10-15(16)18/h11-12H,2-10H2,1H3 |
| InChIKey |
FIOBLFMZQXVMGM-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1(N(C2=CC(CCC2C1)=O)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97846 |
