| SpectraBase Compound ID | 3rElJKd7sI |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-10(17)11-3-2-4-12(7-11)13-5-6-15-14(8-13)9-19-16(15)18/h2-8H,9H2,1H3 |
| InChIKey | KDJBOPJUAKCNTO-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5u7HRd8mbI |
|---|---|
| Name | 5-(3-Acetylphenyl)isobenzofuran-1(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-10(17)11-3-2-4-12(7-11)13-5-6-15-14(8-13)9-19-16(15)18/h2-8H,9H2,1H3 |
| InChIKey | KDJBOPJUAKCNTO-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C1(OCC2=C1C=CC(=C2)C1=CC(=CC=C1)C(=O)C)=O |