![4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole](/api/spectrum/8CVbcPcHWlV/structure.png?h=300&w=458 "4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole")
| SpectraBase Compound ID | 4tYL6Rocgn3 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4-6H,7H2,1-3H3/b5-4+ |
| InChIKey | XKCIPTFOQRVXGG-SNAWJCMRSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CVbcPcHWlV |
|---|---|
| Name | 4,7-Dimethoxy-5-[prop-1-en-1-yl]-2H-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4-6H,7H2,1-3H3/b5-4+ |
| InChIKey | XKCIPTFOQRVXGG-SNAWJCMRSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C12=C(C(=CC(=C2OC)\C=C\C)OC)OCO1 |