| SpectraBase Compound ID | JPkw1XguD5b |
|---|---|
| InChI | InChI=1S/C9H18O/c1-5-6-9(4,10)7-8(2)3/h10H,2,5-7H2,1,3-4H3 |
| InChIKey | LGIOTEKOCNBIKO-UHFFFAOYSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CyQiRgnYK5l |
|---|---|
| Name | 2,4-Dimethyl-1-hepten-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-5-6-9(4,10)7-8(2)3/h10H,2,5-7H2,1,3-4H3 |
| InChIKey | LGIOTEKOCNBIKO-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(CC(O)(CC(C)=C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956924 |