| SpectraBase Compound ID | 2MrWaAe0BX6 |
|---|---|
| InChI | InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | LDFQMMUIJQDSAB-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C8H12O5 |
| Exact Mass | 188.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 29XumbWBEK9 |
|---|---|
| Name | Diethyl oxirane-2,3-dicarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.068473481 u |
| Formula | C8H12O5 |
| InChI | InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | LDFQMMUIJQDSAB-UHFFFAOYSA-N |
| Molecular Weight | 188.179 g/mol |
| SMILES | C1(C(C(=O)OCC)O1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988824 |