| SpectraBase Compound ID | JU64X7mMxWJ |
|---|---|
| InChI | InChI=1S/C9H16O5/c1-7(10)9(12-3,13-4)5-6-14-8(2)11/h5-6H2,1-4H3 |
| InChIKey | HWLLNNVISZLFHT-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C9H16O5 |
| Exact Mass | 204.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KGoulmm2WjI |
|---|---|
| Name | (3,3-Dimethoxy-4-oxidanylidene-pentyl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.099773610 u |
| Formula | C9H16O5 |
| InChI | InChI=1S/C9H16O5/c1-7(10)9(12-3,13-4)5-6-14-8(2)11/h5-6H2,1-4H3 |
| InChIKey | HWLLNNVISZLFHT-UHFFFAOYSA-N |
| Molecular Weight | 204.222 g/mol |
| SMILES | C(C(=O)C)(CCOC(=O)C)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959095 |