| SpectraBase Compound ID | 6cbNw0695cR |
|---|---|
| InChI | InChI=1S/C23H14O4/c24-20(15-9-3-1-4-10-15)19-22(26)17-13-7-8-14-18(17)27-23(19)21(25)16-11-5-2-6-12-16/h1-14H |
| InChIKey | WKISLVVWJSPDSS-UHFFFAOYSA-N |
| Mol Weight | 354.36 g/mol |
| Molecular Formula | C23H14O4 |
| Exact Mass | 354.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkFTQDndH2N |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2,3-dibenzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.089208927 u |
| Formula | C23H14O4 |
| InChI | InChI=1S/C23H14O4/c24-20(15-9-3-1-4-10-15)19-22(26)17-13-7-8-14-18(17)27-23(19)21(25)16-11-5-2-6-12-16/h1-14H |
| InChIKey | WKISLVVWJSPDSS-UHFFFAOYSA-N |
| Molecular Weight | 354.361 g/mol |
| SMILES | C1(=C(OC=2C(C1=O)=CC=CC2)C(=O)C=1C=CC=CC1)C(=O)C=1C=CC=CC1 |