| SpectraBase Compound ID | 4yUTftnSvYj |
|---|---|
| InChI | InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4- |
| InChIKey | GHBKCPRDHLITSE-PLNGDYQASA-N |
| Mol Weight | 98.19 g/mol |
| Molecular Formula | C7H14 |
| Exact Mass | 98.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKNoG5fDGHL |
|---|---|
| Name | Z-5-Methyl-2-hexen |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.109550451 u |
| Formula | C7H14 |
| InChI | InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4- |
| InChIKey | GHBKCPRDHLITSE-PLNGDYQASA-N |
| Molecular Weight | 98.189 g/mol |
| SMILES | C\C=C/CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955255 |