| SpectraBase Compound ID | 2EQRLiKZnUp |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-11(18)20-17-15(19)13-9-5-6-10-14(13)21-16(17)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | NCHSTTAWIMAJHU-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C17H12O4 |
| Exact Mass | 280.073559 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 | 7E40CL8GtPQ |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.073558862 u |
| Formula | C17H12O4 |
| InChI | InChI=1S/C17H12O4/c1-11(18)20-17-15(19)13-9-5-6-10-14(13)21-16(17)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | NCHSTTAWIMAJHU-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)C1=C(OC(C)=O)C(C2=CC=CC=C2O1)=O |