| SpectraBase Compound ID | 3WyYw1AdXdj |
|---|---|
| InChI | InChI=1S/C17H25NO/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18-16-17/h3,5-6,8,11,13-14,16,19H,1-2,4,7,9-10,12,15H2/b5-3-,8-6+ |
| InChIKey | LRYCYTKWHOQKLZ-CUKJDEOPSA-N |
| Mol Weight | 259.39 g/mol |
| Molecular Formula | C17H25NO |
| Exact Mass | 259.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3HNsXI7HzjQ |
|---|---|
| Name | (3E,8Z)-12-(3-Pyridinyl)-1-dodeca-3,8-dienol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.193614428 u |
| Formula | C17H25NO |
| InChI | InChI=1S/C17H25NO/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18-16-17/h3,5-6,8,11,13-14,16,19H,1-2,4,7,9-10,12,15H2/b5-3-,8-6+ |
| InChIKey | LRYCYTKWHOQKLZ-CUKJDEOPSA-N |
| Molecular Weight | 259.393 g/mol |
| SMILES | C1=NC=CC=C1CCC\C=C/CCC\C=C\CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97749 |