| SpectraBase Compound ID | EBPOwopnusW |
|---|---|
| InChI | InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2 |
| InChIKey | KHQKGRVDIZQGHT-UHFFFAOYSA-N |
| Mol Weight | 80.13 g/mol |
| Molecular Formula | C6H8 |
| Exact Mass | 80.0626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6uUhM08xDBt |
|---|---|
| Name | 1,2,5-Hexatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 80.062600258 u |
| Formula | C6H8 |
| InChI | InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2 |
| InChIKey | KHQKGRVDIZQGHT-UHFFFAOYSA-N |
| Molecular Weight | 80.130 g/mol |
| SMILES | C=C=CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935546 |