| SpectraBase Compound ID | 3GfcAxXOGmD |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-15-10-13(16(21-2)18-17(15)22-11-23-18)8-9-14(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+ |
| InChIKey | HMQNPENKFSRMJW-CMDGGOBGSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsfAHTxva7m |
|---|---|
| Name | 3-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-20-15-10-13(16(21-2)18-17(15)22-11-23-18)8-9-14(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+ |
| InChIKey | HMQNPENKFSRMJW-CMDGGOBGSA-N |
| SMILES | C(\C=C\C1=CC(OC)=C2C(=C1OC)OCO2)(=O)C1=CC=CC=C1 |