| SpectraBase Compound ID | JcOdx0zwnjs |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-3-11-4-5-12-8(10)6-13-7(2)9/h3-6H2,1-2H3 |
| InChIKey | JWJGMKZQUIQVNK-UHFFFAOYSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D7zODTmv17o |
|---|---|
| Name | Acetoxyacetic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-3-11-4-5-12-8(10)6-13-7(2)9/h3-6H2,1-2H3 |
| InChIKey | JWJGMKZQUIQVNK-UHFFFAOYSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C(COC(C)=O)(OCCOCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943139 |