| SpectraBase Compound ID | C3L2reEfsmm |
|---|---|
| InChI | InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3,5,7H,1,4H2,2H3/b7-5+ |
| InChIKey | GENOTZKVIJRVTO-FNORWQNLSA-N |
| Mol Weight | 106.17 g/mol |
| Molecular Formula | C8H10 |
| Exact Mass | 106.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 19hUDGhuEnQ |
|---|---|
| Name | 1,3-Octadien-5-yne, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 106.078250322 u |
| Formula | C8H10 |
| InChI | InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3,5,7H,1,4H2,2H3/b7-5+ |
| InChIKey | GENOTZKVIJRVTO-FNORWQNLSA-N |
| Molecular Weight | 106.168 g/mol |
| SMILES | C(#CCC)\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85843 |