| SpectraBase Compound ID | 98fSiRX2KTI |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-11-4-6-13(16(8-11)22-3)15-10-23-17-9-12(21-2)5-7-14(17)18(15)19/h4-10H,1-3H3 |
| InChIKey | RQVCRACKWBNBEO-UHFFFAOYSA-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 | JLppjzTNzaN |
|---|---|
| Name | 3-(2,4-Dimethoxyphenyl)-7-methoxy-1-benzopyran-4-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/c1-20-11-4-6-13(16(8-11)22-3)15-10-23-17-9-12(21-2)5-7-14(17)18(15)19/h4-10H,1-3H3 |
| InChIKey | RQVCRACKWBNBEO-UHFFFAOYSA-N |
| SMILES | C=1(C(C=2C=CC(=CC2OC1)OC)=O)C=1C(=CC(=CC1)OC)OC |