| SpectraBase Compound ID | 3fjMtrBO4Xg |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-11-9(12-5-2)7-6-8(3)10/h8-10H,4-5H2,1-3H3 |
| InChIKey | NUYIPJRBAIRPDV-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9UiUgC1En1 |
|---|---|
| Name | 5,5-Diethoxy-3-pentyn-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-11-9(12-5-2)7-6-8(3)10/h8-10H,4-5H2,1-3H3 |
| InChIKey | NUYIPJRBAIRPDV-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(#CC(O)C)C(OCC)OCC |