| SpectraBase Compound ID | GKIFwb2BtD3 |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h2,8-9H,3,5-7H2,1H3 |
| InChIKey | CNKOTDLNZPTGOY-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 901ZbDqyZ2W |
|---|---|
| Name | 1-Octyn-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h2,8-9H,3,5-7H2,1H3 |
| InChIKey | CNKOTDLNZPTGOY-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(CC#C)O)CCC |