![1-Methyl-3-phenyl-1H-benzo[g]isochromene-5,10-dione](/api/spectrum/AsQQtnayien/structure.png?h=300&w=458 "1-Methyl-3-phenyl-1H-benzo[g]isochromene-5,10-dione")
| SpectraBase Compound ID | A3FH5PNq17n |
|---|---|
| InChI | InChI=1S/C20H14O3/c1-12-18-16(11-17(23-12)13-7-3-2-4-8-13)19(21)14-9-5-6-10-15(14)20(18)22/h2-12H,1H3 |
| InChIKey | XBQYVUSUYHWOBN-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C20H14O3 |
| Exact Mass | 302.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsQQtnayien |
|---|---|
| Name | 1-Methyl-3-phenyl-1H-benzo[G]isochromene-5,10-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.094294308 u |
| Formula | C20H14O3 |
| InChI | InChI=1S/C20H14O3/c1-12-18-16(11-17(23-12)13-7-3-2-4-8-13)19(21)14-9-5-6-10-15(14)20(18)22/h2-12H,1H3 |
| InChIKey | XBQYVUSUYHWOBN-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=C(O1)C=1C=CC=CC1)C(C=1C=CC=CC1C2=O)=O)C |