| SpectraBase Compound ID | Ag3GRH3IqUh |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-4-7(9(11)12-3)6-8(10)13-5-2/h1,5-6H2,2-3H3 |
| InChIKey | HRNLEQAYGWEGJX-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KzQbZgli9a6 |
|---|---|
| Name | 4-Ethyl 1-methyl 2-vinylidenesuccinate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.073558862 u |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-4-7(9(11)12-3)6-8(10)13-5-2/h1,5-6H2,2-3H3 |
| InChIKey | HRNLEQAYGWEGJX-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | C(C(OCC)=O)C(C(OC)=O)=C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937127 |