| SpectraBase Compound ID | DaLuda5W3zk |
|---|---|
| InChI | InChI=1S/C22H47N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | ZSEBQUPNWHMZKA-UHFFFAOYSA-N |
| Mol Weight | 325.6 g/mol |
| Molecular Formula | C22H47N |
| Exact Mass | 325.370851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2SufojgCfuC |
|---|---|
| Name | Butyloctadecylamine |
| 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | ZSEBQUPNWHMZKA-UHFFFAOYSA-N |
| Molecular Weight | 325.625 g/mol |
| SMILES | C(NCCCCCCCCCCCCCCCCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961574 |