| SpectraBase Compound ID | 88w33mlYXfe |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4+ |
| InChIKey | WQEXBUQDXKPVHR-SNAWJCMRSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9AM5kIT5XwZ |
|---|---|
| Name | Mesaconic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4+ |
| InChIKey | WQEXBUQDXKPVHR-SNAWJCMRSA-N |
| SMILES | C\C(=C/C(=O)OC)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.928647 |