| SpectraBase Spectrum ID |
7zNCSEOX8iR |
| Name |
1H-Azepine, hexahydro-1-[4-[(3,5,5-trimethylhexyl)oxy]butyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.303164879 u |
| Formula |
C19H39NO |
| InChI |
InChI=1S/C19H39NO/c1-18(17-19(2,3)4)11-16-21-15-10-9-14-20-12-7-5-6-8-13-20/h18H,5-17H2,1-4H3 |
| InChIKey |
FAWIIONDHVKKRX-UHFFFAOYSA-N |
| Molecular Weight |
297.527 g/mol |
| SMILES |
C(CC(CCOCCCCN1CCCCCC1)C)(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.983801 |
![1H-Azepine, hexahydro-1-[4-[(3,5,5-trimethylhexyl)oxy]butyl]-](/api/spectrum/7zNCSEOX8iR/structure.png?h=300&w=458 "1H-Azepine, hexahydro-1-[4-[(3,5,5-trimethylhexyl)oxy]butyl]-")
