| SpectraBase Compound ID | 4gb7lpuAh2S |
|---|---|
| InChI | InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h8H,2,7H2,1H3 |
| InChIKey | MXTNKCZYNHNANK-UHFFFAOYSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H8O |
| Exact Mass | 108.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oSqLbeS0aM |
|---|---|
| Name | 2,4-Heptadiyn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.057514877 u |
| Formula | C7H8O |
| InChI | InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h8H,2,7H2,1H3 |
| InChIKey | MXTNKCZYNHNANK-UHFFFAOYSA-N |
| Molecular Weight | 108.140 g/mol |
| SMILES | OCC#CC#CCC |