| SpectraBase Spectrum ID |
AepxmfNDVUW |
| Name |
2-Hexamethylenimine-1H-inden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.131014170 u |
| Formula |
C15H17NO |
| InChI |
InChI=1S/C15H17NO/c17-15-13-8-4-3-7-12(13)11-14(15)16-9-5-1-2-6-10-16/h3-4,7-8,11H,1-2,5-6,9-10H2 |
| InChIKey |
UGPRWXBLLAKHMZ-UHFFFAOYSA-N |
| Molecular Weight |
227.307 g/mol |
| SMILES |
C=1(C(C=2C(C1)=CC=CC2)=O)N1CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848848 |
