| SpectraBase Compound ID | BR0KQV8n9IN |
|---|---|
| InChI | InChI=1S/C11H10O4/c1-2-5-13-11(12)8-3-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-2+ |
| InChIKey | ZPVGGECYEXRQJS-GORDUTHDSA-N |
| Mol Weight | 206.2 g/mol |
| Molecular Formula | C11H10O4 |
| Exact Mass | 206.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11D03llj5iZ |
|---|---|
| Name | 1-Propenyl-3,4-methylenedioxy benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.057908798 u |
| Formula | C11H10O4 |
| InChI | InChI=1S/C11H10O4/c1-2-5-13-11(12)8-3-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-2+ |
| InChIKey | ZPVGGECYEXRQJS-GORDUTHDSA-N |
| Molecular Weight | 206.197 g/mol |
| SMILES | C1=2C(=CC=C(C2)C(O\C=C\C)=O)OCO1 |