| SpectraBase Compound ID | 6YxXmvvaodN |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-7(5-8)6(2)3/h7-8H,2,4-5H2,1,3H3 |
| InChIKey | HOEIQJYPUYKCOU-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8U9AMZCD8QI |
|---|---|
| Name | 2-Ethyl-3-methyl-3-buten-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-4-7(5-8)6(2)3/h7-8H,2,4-5H2,1,3H3 |
| InChIKey | HOEIQJYPUYKCOU-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(C(C(=C)C)CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966765 |