| SpectraBase Compound ID | 6Roo6QjDPPg |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-7(2)5-6-8(3)9/h8-9H,2,4H2,1,3H3 |
| InChIKey | ZJOHVLOKFNNSBQ-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVvHjQ99XnW |
|---|---|
| Name | 2-Ethylhex-1-en-3-yn-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-4-7(2)5-6-8(3)9/h8-9H,2,4H2,1,3H3 |
| InChIKey | ZJOHVLOKFNNSBQ-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C=C(C#CC(C)O)CC |