| SpectraBase Compound ID | B7IafchRLK5 |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-15-9-3-5-11-17(15)21(23)25-19-13-7-8-14-20(19)26-22(24)18-12-6-4-10-16(18)2/h3-14H,1-2H3 |
| InChIKey | NWGKVFYUZHKBSF-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H18O4 |
| Exact Mass | 346.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GVjQjvCOIn |
|---|---|
| Name | 1,2-Benzenediol, o,o'-di(2-methylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.120509056 u |
| Formula | C22H18O4 |
| InChI | InChI=1S/C22H18O4/c1-15-9-3-5-11-17(15)21(23)25-19-13-7-8-14-20(19)26-22(24)18-12-6-4-10-16(18)2/h3-14H,1-2H3 |
| InChIKey | NWGKVFYUZHKBSF-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | CC1=CC=CC=C1C(OC=1C(=CC=CC1)OC(C1=C(C)C=CC=C1)=O)=O |