| SpectraBase Compound ID | EdqmATatLae |
|---|---|
| InChI | InChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h1-2,8-9H,5-7H2 |
| InChIKey | PRNKPBQGXZOSID-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CM9n9MZCwKD |
|---|---|
| Name | Octa-1,7-diyn-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h1-2,8-9H,5-7H2 |
| InChIKey | PRNKPBQGXZOSID-UHFFFAOYSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C(#C)C(O)CCCC#C |