| SpectraBase Compound ID | CodQCH7FYX2 |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | YPTLFOZCUOHVFO-VOTSOKGWSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Po99AHszQ4 |
|---|---|
| Name | (E)-2-Methyl-2-butenedioic acid diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h6H,4-5H2,1-3H3/b7-6+ |
| InChIKey | YPTLFOZCUOHVFO-VOTSOKGWSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(\C=C\(C(=O)OCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938659 |