| SpectraBase Compound ID | 2PZVr0wlRG6 |
|---|---|
| InChI | InChI=1S/C9H18O5/c1-3-13-9(14-4-2)8(12)5-7(11)6-10/h8-10,12H,3-6H2,1-2H3 |
| InChIKey | CKRGNFBCDIWLAH-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C9H18O5 |
| Exact Mass | 206.115424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KCmTMCgFPOQ |
|---|---|
| Name | 5,5-Diethoxy-1,4-dihydroxypentan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.115423675 u |
| Formula | C9H18O5 |
| InChI | InChI=1S/C9H18O5/c1-3-13-9(14-4-2)8(12)5-7(11)6-10/h8-10,12H,3-6H2,1-2H3 |
| InChIKey | CKRGNFBCDIWLAH-UHFFFAOYSA-N |
| Molecular Weight | 206.238 g/mol |
| SMILES | C(C(CC(C(OCC)OCC)O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896003 |