| SpectraBase Compound ID | CfSxFPtLu2F |
|---|---|
| InChI | InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,10,12,14,16H,1,4-9,11,13,15,17-18H2,2H3/b12-10-,16-14+ |
| InChIKey | XWCKCHRCDXCUHK-OMGSKEOWSA-N |
| Mol Weight | 248.5 g/mol |
| Molecular Formula | C18H32 |
| Exact Mass | 248.250401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 780VYm4CjR0 |
|---|---|
| Name | 1,E-11,Z-13-Octadecatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.250401030 u |
| Formula | C18H32 |
| InChI | InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,10,12,14,16H,1,4-9,11,13,15,17-18H2,2H3/b12-10-,16-14+ |
| InChIKey | XWCKCHRCDXCUHK-OMGSKEOWSA-N |
| Molecular Weight | 248.454 g/mol |
| SMILES | C(CCC\C=C\C=C/CCCC)CCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928349 |