| SpectraBase Compound ID | ANVJRsch1cJ |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-7(9(11)13-3)5-6-8(10)12-2/h4H,5-6H2,1-3H3/b7-4+ |
| InChIKey | IBRWFSUIBCZPDX-QPJJXVBHSA-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 | 92Z4UP4995r |
|---|---|
| Name | (2E)-2-Ethylideneglutaric acid dimethyl 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/c1-4-7(9(11)13-3)5-6-8(10)12-2/h4H,5-6H2,1-3H3/b7-4+ |
| InChIKey | IBRWFSUIBCZPDX-QPJJXVBHSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(\C(CCC(=O)OC)=C\C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958826 |