| SpectraBase Compound ID | 8nptPkx5dcX |
|---|---|
| InChI | InChI=1S/C13H21NO/c1-2-3-9-13(11-15)14-10-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3 |
| InChIKey | AESFREPOPJJVBY-UHFFFAOYSA-N |
| Mol Weight | 207.32 g/mol |
| Molecular Formula | C13H21NO |
| Exact Mass | 207.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JyLd5qWxTGT |
|---|---|
| Name | dl-2-Benzylaminohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.162314299 u |
| Formula | C13H21NO |
| InChI | InChI=1S/C13H21NO/c1-2-3-9-13(11-15)14-10-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3 |
| InChIKey | AESFREPOPJJVBY-UHFFFAOYSA-N |
| Molecular Weight | 207.317 g/mol |
| SMILES | C1=CC(=CC=C1)CNC(CO)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983888 |