| SpectraBase Compound ID | 4HZ7My533So |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-5-13-8(11)9(3,6-12-4)7(2)10/h5-6H2,1-4H3 |
| InChIKey | LUCHZDXMOHTRNX-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FuDvLIFR5E7 |
|---|---|
| Name | 2-Methoxymethyl-2-methyl-3-oxobutyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-5-13-8(11)9(3,6-12-4)7(2)10/h5-6H2,1-4H3 |
| InChIKey | LUCHZDXMOHTRNX-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | CC(C(C(OCC)=O)(COC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982101 |