| SpectraBase Compound ID | 5Qdj3xlVb2t |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-3-11-9(12-4-2)7-5-6-8-10/h9-10H,3-4,6,8H2,1-2H3 |
| InChIKey | FAJISAKZWPWWOT-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2EIUWTklcKe |
|---|---|
| Name | 5,5-Diethoxypent-3-yn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-3-11-9(12-4-2)7-5-6-8-10/h9-10H,3-4,6,8H2,1-2H3 |
| InChIKey | FAJISAKZWPWWOT-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(CC#CC(OCC)OCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978444 |