| SpectraBase Compound ID | GF6C38eFc8M |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-10-5-7-11(8-6-10)14(16)17-13-4-2-3-12(15)9-13/h2-9,15H,1H3 |
| InChIKey | GUSHBZZTOMBAIW-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 909Rb2jILuu |
|---|---|
| Name | 1,3-Benzenediol, o-(4-methylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-10-5-7-11(8-6-10)14(16)17-13-4-2-3-12(15)9-13/h2-9,15H,1H3 |
| InChIKey | GUSHBZZTOMBAIW-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C1=C(C=CC=C1O)OC(=O)C1=CC=C(C)C=C1 |