| SpectraBase Compound ID | IZjVljXsWIC |
|---|---|
| InChI | InChI=1S/C22H14O3/c23-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22(24)25-21/h1-14H/b21-19+ |
| InChIKey | WMVXTOXKMXGKHE-XUTLUUPISA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C22H14O3 |
| Exact Mass | 326.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dq50khmtk0 |
|---|---|
| Name | (Z)-3-(.alpha.-Benzoylbenzylidene)phthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.094294308 u |
| Formula | C22H14O3 |
| InChI | InChI=1S/C22H14O3/c23-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22(24)25-21/h1-14H/b21-19+ |
| InChIKey | WMVXTOXKMXGKHE-XUTLUUPISA-N |
| Molecular Weight | 326.351 g/mol |
| SMILES | C(\C(=C\1OC(=O)C2=C1C=CC=C2)C1=CC=CC=C1)(=O)C1=CC=CC=C1 |