| SpectraBase Compound ID | 5dNg0EmbuTm |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-15-7-5-9-17(13-15)21(23)25-19-11-3-4-12-20(19)26-22(24)18-10-6-8-16(2)14-18/h3-14H,1-2H3 |
| InChIKey | SHEMVNINUQUWOM-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H18O4 |
| Exact Mass | 346.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CkhuvmjoOdt |
|---|---|
| Name | 1,2-Benzenediol, o,o'-di(3-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/c1-15-7-5-9-17(13-15)21(23)25-19-11-3-4-12-20(19)26-22(24)18-10-6-8-16(2)14-18/h3-14H,1-2H3 |
| InChIKey | SHEMVNINUQUWOM-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | CC1=CC=CC(=C1)C(OC=1C(=CC=CC1)OC(C=1C=CC=C(C)C1)=O)=O |