| SpectraBase Compound ID | 2oyVx0SY2bK |
|---|---|
| InChI | InChI=1S/C9H15Cl/c1-5-7(3)8(4)9(10)6-2/h5,9H,1,6H2,2-4H3/b8-7+ |
| InChIKey | ZCVBKSHXHOERND-BQYQJAHWSA-N |
| Mol Weight | 158.67 g/mol |
| Molecular Formula | C9H15Cl |
| Exact Mass | 158.086228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8WnPUtddimf |
|---|---|
| Name | (2E,4E)-5-Chloro-3,4-dimethyl-2,4-heptadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.086228183 u |
| Formula | C9H15Cl |
| InChI | InChI=1S/C9H15Cl/c1-5-7(3)8(4)9(10)6-2/h5,9H,1,6H2,2-4H3/b8-7+ |
| InChIKey | ZCVBKSHXHOERND-BQYQJAHWSA-N |
| Molecular Weight | 158.672 g/mol |
| SMILES | C(C(\C(=C\(C=C)C)C)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966256 |