| SpectraBase Compound ID | 9iAqScnOq3q |
|---|---|
| InChI | InChI=1S/C16H12O6/c17-16(11-2-4-13-15(6-11)22-9-20-13)18-7-10-1-3-12-14(5-10)21-8-19-12/h1-6H,7-9H2 |
| InChIKey | FFPTUNHKEQKODI-UHFFFAOYSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApLi5GxSRTe |
|---|---|
| Name | 1,3-Benzodioxol-5-methyl 1,3-benzodioxole-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.063388100 u |
| Formula | C16H12O6 |
| InChI | InChI=1S/C16H12O6/c17-16(11-2-4-13-15(6-11)22-9-20-13)18-7-10-1-3-12-14(5-10)21-8-19-12/h1-6H,7-9H2 |
| InChIKey | FFPTUNHKEQKODI-UHFFFAOYSA-N |
| SMILES | C1(C(=O)OCC2=CC3=C(C=C2)OCO3)=CC2=C(C=C1)OCO2 |