| SpectraBase Compound ID | ezPInbnSes |
|---|---|
| InChI | InChI=1S/C22H47N/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | NKGSHSILLGXYDW-UHFFFAOYSA-N |
| Mol Weight | 325.6 g/mol |
| Molecular Formula | C22H47N |
| Exact Mass | 325.370851 g/mol |
| SpectraBase Spectrum ID | 3GZTi63Sxzd |
|---|---|
| Name | Diundecylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.370850517 u |
| Formula | C22H47N |
| InChI | InChI=1S/C22H47N/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | NKGSHSILLGXYDW-UHFFFAOYSA-N |
| Molecular Weight | 325.625 g/mol |
| SMILES | N(CCCCCCCCCCC)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.998072 |