| SpectraBase Compound ID | GlNRnDlQcR5 |
|---|---|
| InChI | InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13-16H2,2H3/b8-6-,12-10+ |
| InChIKey | UBRMRINHAGURAN-DEOFSOSHSA-N |
| Mol Weight | 220.4 g/mol |
| Molecular Formula | C16H28 |
| Exact Mass | 220.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DkeZGiYihxW |
|---|---|
| Name | 1,E-11,Z-13-Hexadecatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.219100902 u |
| Formula | C16H28 |
| InChI | InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13-16H2,2H3/b8-6-,12-10+ |
| InChIKey | UBRMRINHAGURAN-DEOFSOSHSA-N |
| Molecular Weight | 220.400 g/mol |
| SMILES | CC\C=C/C=C/CCCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829554 |