| SpectraBase Compound ID | 2ZKit6ADlyx |
|---|---|
| InChI | InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 |
| InChIKey | YTOPFCCWCSOHFV-UHFFFAOYSA-N |
| Mol Weight | 297.5 g/mol |
| Molecular Formula | C19H39NO |
| Exact Mass | 297.303165 g/mol |
| SpectraBase Spectrum ID | 5R46pbtXgeF |
|---|---|
| Name | Tridemorph |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 |
| InChIKey | YTOPFCCWCSOHFV-UHFFFAOYSA-N |
| Molecular Weight | 297.527 g/mol |
| SMILES | C1N(CC(OC1C)C)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.956581 |