| SpectraBase Compound ID | C9eUMoXZGch |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-7(5-2)8(9)6-3/h3,7-9H,4-5H2,1-2H3 |
| InChIKey | OLXSSIGLMQHXHR-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5zb8wWAaT51 |
|---|---|
| Name | 4-Ethyl-1-hexyn-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-7(5-2)8(9)6-3/h3,7-9H,4-5H2,1-2H3 |
| InChIKey | OLXSSIGLMQHXHR-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | OC(C(CC)CC)C#C |
| Spectrum/Structure Validation Score (Raman) | 0.941048 |