| SpectraBase Compound ID | 1KtZcem2CAU |
|---|---|
| InChI | InChI=1S/C22H16O5/c1-15(23)20-18(26-21(24)16-9-4-2-5-10-16)13-8-14-19(20)27-22(25)17-11-6-3-7-12-17/h2-14H,1H3 |
| InChIKey | QYFZYFIBENTTAX-UHFFFAOYSA-N |
| Mol Weight | 360.37 g/mol |
| Molecular Formula | C22H16O5 |
| Exact Mass | 360.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | II1KeVznnaL |
|---|---|
| Name | (2-Acetyl-3-benzoyloxy-phenyl) benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.099773610 u |
| Formula | C22H16O5 |
| InChI | InChI=1S/C22H16O5/c1-15(23)20-18(26-21(24)16-9-4-2-5-10-16)13-8-14-19(20)27-22(25)17-11-6-3-7-12-17/h2-14H,1H3 |
| InChIKey | QYFZYFIBENTTAX-UHFFFAOYSA-N |
| Molecular Weight | 360.365 g/mol |
| SMILES | C(C)(=O)C=1C(=CC=CC1OC(C=1C=CC=CC1)=O)OC(C=1C=CC=CC1)=O |