| SpectraBase Compound ID | 9PpnPuhi00g |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-12-7(10)5-6(3-4-9)8(11)13-2/h6,9H,3-5H2,1-2H3 |
| InChIKey | HSJHWEUGHNVZCD-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 | DJGVxi56G6D |
|---|---|
| Name | 2-(2-Hydroxyethyl)butanedioic acid dimethyl 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/c1-12-7(10)5-6(3-4-9)8(11)13-2/h6,9H,3-5H2,1-2H3 |
| InChIKey | HSJHWEUGHNVZCD-UHFFFAOYSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C(C(CC(=O)OC)CCO)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964309 |