| SpectraBase Compound ID | Ji1qsB9oP6S |
|---|---|
| InChI | InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2,6H2/b7-5+ |
| InChIKey | CXHZYOISZDAYCU-FNORWQNLSA-N |
| Mol Weight | 94.16 g/mol |
| Molecular Formula | C7H10 |
| Exact Mass | 94.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HtNdng3fQ9v |
|---|---|
| Name | 1,3,6-Heptatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.078250322 u |
| Formula | C7H10 |
| InChI | InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2,6H2/b7-5+ |
| InChIKey | CXHZYOISZDAYCU-FNORWQNLSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C=CC\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94327 |