| SpectraBase Compound ID | 31NYGSrl8IG |
|---|---|
| InChI | InChI=1S/C17H14O6/c1-10(18)14-12(23-17(19)11-6-4-3-5-7-11)8-13-15(16(14)20-2)22-9-21-13/h3-8H,9H2,1-2H3 |
| InChIKey | WGIOGXSCGNJWHN-UHFFFAOYSA-N |
| Mol Weight | 314.29 g/mol |
| Molecular Formula | C17H14O6 |
| Exact Mass | 314.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhtzLWD5MRd |
|---|---|
| Name | 2-Acetyl-3-methoxy-4,5-(methylenedioxy)phenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.079038165 u |
| Formula | C17H14O6 |
| InChI | InChI=1S/C17H14O6/c1-10(18)14-12(23-17(19)11-6-4-3-5-7-11)8-13-15(16(14)20-2)22-9-21-13/h3-8H,9H2,1-2H3 |
| InChIKey | WGIOGXSCGNJWHN-UHFFFAOYSA-N |
| Molecular Weight | 314.293 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OC=1C(=C(C2=C(C1)OCO2)OC)C(=O)C |