| SpectraBase Compound ID | 5ETMx7Pk9f0 |
|---|---|
| InChI | InChI=1S/C12H12O6/c1-15-8-5-7(3-4-9(13)14)10(16-2)12-11(8)17-6-18-12/h3-5H,6H2,1-2H3,(H,13,14)/b4-3+ |
| InChIKey | PJIRHGUFEQKTQY-ONEGZZNKSA-N |
| Mol Weight | 252.22 g/mol |
| Molecular Formula | C12H12O6 |
| Exact Mass | 252.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsZWbQkhmGy |
|---|---|
| Name | 3-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.063388100 u |
| Formula | C12H12O6 |
| InChI | InChI=1S/C12H12O6/c1-15-8-5-7(3-4-9(13)14)10(16-2)12-11(8)17-6-18-12/h3-5H,6H2,1-2H3,(H,13,14)/b4-3+ |
| InChIKey | PJIRHGUFEQKTQY-ONEGZZNKSA-N |
| Molecular Weight | 252.222 g/mol |
| SMILES | C1OC2=C(OC)C=C(C(OC)=C2O1)\C=C\C(O)=O |