| SpectraBase Compound ID | 5oX09pi01cy |
|---|---|
| InChI | InChI=1S/C11H17NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2 |
| InChIKey | QKUUODQZIHMURU-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
| SpectraBase Spectrum ID | 3QsRg9ZBS4a |
|---|---|
| Name | 3-Phenyl-1-propylamine N-hydroxyethyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2 |
| InChIKey | QKUUODQZIHMURU-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C1(CCCNCCO)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989072 |