| SpectraBase Compound ID | LSlvI7IJ7tm |
|---|---|
| InChI | InChI=1S/C13H22O6/c1-3-13(7-16-10-17-8-13)9-19-12(15)6-5-11(14)18-4-2/h3-10H2,1-2H3 |
| InChIKey | DXLIEZBBXFWGII-UHFFFAOYSA-N |
| Mol Weight | 274.31 g/mol |
| Molecular Formula | C13H22O6 |
| Exact Mass | 274.141638 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EcOgZAP7ZXf |
|---|---|
| Name | Succinic acid, ethyl (5-ethyl-1,3-dioxan-5-yl)methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.141638422 u |
| Formula | C13H22O6 |
| InChI | InChI=1S/C13H22O6/c1-3-13(7-16-10-17-8-13)9-19-12(15)6-5-11(14)18-4-2/h3-10H2,1-2H3 |
| InChIKey | DXLIEZBBXFWGII-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC)=O)(=O)OCC1(CC)COCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98338 |