| SpectraBase Compound ID | Cd2dgXBYwxn |
|---|---|
| InChI | InChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H |
| InChIKey | AABUKWVVUWBZCS-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C21H14O3 |
| Exact Mass | 314.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DTmYWKwBe4f |
|---|---|
| Name | 3,4-Diphenyl-7-hydroxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.094294308 u |
| Formula | C21H14O3 |
| InChI | InChI=1S/C21H14O3/c22-16-11-12-17-18(13-16)24-21(23)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H |
| InChIKey | AABUKWVVUWBZCS-UHFFFAOYSA-N |
| Molecular Weight | 314.340 g/mol |
| SMILES | OC=1C=C2OC(C(=C(C2=CC1)C=1C=CC=CC1)C1=CC=CC=C1)=O |