| SpectraBase Compound ID | HPvZAWPvcF5 |
|---|---|
| InChI | InChI=1S/C9H12O6/c1-5(7(10)13-2)6(8(11)14-3)9(12)15-4/h6H,1H2,2-4H3 |
| InChIKey | XEVPKDGQJUEPTF-UHFFFAOYSA-N |
| Mol Weight | 216.19 g/mol |
| Molecular Formula | C9H12O6 |
| Exact Mass | 216.063388 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3GWXk4us4FU |
|---|---|
| Name | Dimethyl 2-methoxycarbonyl-3-methylenesuccinate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.063388100 u |
| Formula | C9H12O6 |
| InChI | InChI=1S/C9H12O6/c1-5(7(10)13-2)6(8(11)14-3)9(12)15-4/h6H,1H2,2-4H3 |
| InChIKey | XEVPKDGQJUEPTF-UHFFFAOYSA-N |
| Molecular Weight | 216.189 g/mol |
| SMILES | C(C(C(=O)OC)=C)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96305 |