| SpectraBase Compound ID | LWFaBuHYwgg |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-13-8-7-11(9-16(13)22-3)15-10-12-5-4-6-14(21-2)17(12)18(19)23-15/h4-10H,1-3H3 |
| InChIKey | GHTACAVDDFVAHW-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 | LBLK979bmIH |
|---|---|
| Name | 3-(3,4-Dimethoxyphenyl)-8-methoxyisocoumarin |
| 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/c1-20-13-8-7-11(9-16(13)22-3)15-10-12-5-4-6-14(21-2)17(12)18(19)23-15/h4-10H,1-3H3 |
| InChIKey | GHTACAVDDFVAHW-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=CC=C2OC)C=C(O1)C=1C=C(OC)C(=CC1)OC)=O |