| SpectraBase Compound ID | JFwn3IbOpDi |
|---|---|
| InChI | InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-6H,1,3,7H2,2,4H3/b6-5+ |
| InChIKey | BEVRACFYDJMTEY-AATRIKPKSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5yAJegonaQy |
|---|---|
| Name | 2,6-Dimethyl-1,3,6-heptatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-6H,1,3,7H2,2,4H3/b6-5+ |
| InChIKey | BEVRACFYDJMTEY-AATRIKPKSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C=C(C\C=C\C(=C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972394 |