| SpectraBase Compound ID | 3Zq9vxqKfWR |
|---|---|
| InChI | InChI=1S/C9H18O/c1-5-8(6-2)9(3,4)7-10/h5,10H,6-7H2,1-4H3/b8-5+ |
| InChIKey | ISUZYUGITBQMCS-VMPITWQZSA-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 | HCwcMe1X7yo |
|---|---|
| Name | (E)-3-Ethyl-2,2-dimethyl-3-pentenol |
| 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/c1-5-8(6-2)9(3,4)7-10/h5,10H,6-7H2,1-4H3/b8-5+ |
| InChIKey | ISUZYUGITBQMCS-VMPITWQZSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(C(\C(=C\C)CC)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965255 |