| SpectraBase Compound ID | AZfh1EBNIf7 |
|---|---|
| InChI | InChI=1S/C20H38/c1-5-7-8-9-10-11-12-13-14-16-20(4)18-15-17-19(3)6-2/h6,15,17,19-20H,2,5,7-14,16,18H2,1,3-4H3/b17-15+ |
| InChIKey | LQQBNYLUJXXYNY-BMRADRMJSA-N |
| Mol Weight | 278.5 g/mol |
| Molecular Formula | C20H38 |
| Exact Mass | 278.297351 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 26rcJ1qeGRg |
|---|---|
| Name | (Z)-1,3-Phytadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.297351224 u |
| Formula | C20H38 |
| InChI | InChI=1S/C20H38/c1-5-7-8-9-10-11-12-13-14-16-20(4)18-15-17-19(3)6-2/h6,15,17,19-20H,2,5,7-14,16,18H2,1,3-4H3/b17-15+ |
| InChIKey | LQQBNYLUJXXYNY-BMRADRMJSA-N |
| Molecular Weight | 278.524 g/mol |
| SMILES | C(\C=C\CC(CCCCCCCCCCC)C)(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943055 |