| SpectraBase Compound ID | 3pJNjZp8251 |
|---|---|
| InChI | InChI=1S/C7H8/c1-3-5-7-6-4-2/h3,5-7H,1-2H2/b7-5+ |
| InChIKey | LUKXSVLVZHOXKF-FNORWQNLSA-N |
| Mol Weight | 93.15 g/mol |
| Molecular Formula | C7H9 |
| Exact Mass | 93.070425 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3x5VPKzTEVk |
|---|---|
| Name | Trans-1,2,4,6-heptatetraene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 93.070425290 u |
| Formula | C7H9 |
| InChI | InChI=1S/C7H8/c1-3-5-7-6-4-2/h3,5-7H,1-2H2/b7-5+ |
| InChIKey | LUKXSVLVZHOXKF-FNORWQNLSA-N |
| Molecular Weight | 93.149 g/mol |
| Nominal Mass | 93 u |
| SMILES | [CH3]=C=C\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887625 |