| SpectraBase Compound ID | F2GtWH0YfIC |
|---|---|
| InChI | InChI=1S/C13H29NO/c1-3-5-6-7-8-9-11-14-12-10-13(15)4-2/h13-15H,3-12H2,1-2H3/t13-/m1/s1 |
| InChIKey | RERODOQGVHZFSK-CYBMUJFWSA-N |
| Mol Weight | 215.38 g/mol |
| Molecular Formula | C13H29NO |
| Exact Mass | 215.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E6wduTCrRJV |
|---|---|
| Name | (R)-1-Octylamino-3-pentanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.224914557 u |
| Formula | C13H29NO |
| InChI | InChI=1S/C13H29NO/c1-3-5-6-7-8-9-11-14-12-10-13(15)4-2/h13-15H,3-12H2,1-2H3/t13-/m1/s1 |
| InChIKey | RERODOQGVHZFSK-CYBMUJFWSA-N |
| Molecular Weight | 215.381 g/mol |
| SMILES | C(NCCCCCCCC)C[C@](O)(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891064 |