| SpectraBase Compound ID | AP05ijmJshG |
|---|---|
| InChI | InChI=1S/C17H14O5/c1-11(18)21-14-8-9-15(16(10-14)22-12(2)19)17(20)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChIKey | BPOQMDAPVNAZKQ-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdDGgDbmnY5 |
|---|---|
| Name | 4-Benzoyl-1,3-phenylene diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c1-11(18)21-14-8-9-15(16(10-14)22-12(2)19)17(20)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChIKey | BPOQMDAPVNAZKQ-UHFFFAOYSA-N |
| Molecular Weight | 298.294 g/mol |
| SMILES | C(C1=C(C=C(C=C1)OC(C)=O)OC(C)=O)(C1=CC=CC=C1)=O |