| SpectraBase Compound ID | Byr2uJnGhRQ |
|---|---|
| InChI | InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9,11-12H,4,6,8,10H2,1-2H3/b5-3+,9-7+,12-11+ |
| InChIKey | AKCLJLKZMKSIRX-AHKRLCRWSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DPEczh7LSIB |
|---|---|
| Name | (2E,4E,6E)-Dodeca-2,4,6-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9,11-12H,4,6,8,10H2,1-2H3/b5-3+,9-7+,12-11+ |
| InChIKey | AKCLJLKZMKSIRX-AHKRLCRWSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C(\C=C\C=C\C=C\C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864686 |