| SpectraBase Compound ID | EbHhTEPIEw |
|---|---|
| InChI | InChI=1S/C22H18O3/c1-16-10-8-9-15-19(16)22(24)25-21(18-13-6-3-7-14-18)20(23)17-11-4-2-5-12-17/h2-15,21H,1H3 |
| InChIKey | CCUAUPRDUUYEBX-UHFFFAOYSA-N |
| Mol Weight | 330.38 g/mol |
| Molecular Formula | C22H18O3 |
| Exact Mass | 330.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 431Ii86wtWG |
|---|---|
| Name | dl-Benzoin, o-toluate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.125594437 u |
| Formula | C22H18O3 |
| InChI | InChI=1S/C22H18O3/c1-16-10-8-9-15-19(16)22(24)25-21(18-13-6-3-7-14-18)20(23)17-11-4-2-5-12-17/h2-15,21H,1H3 |
| InChIKey | CCUAUPRDUUYEBX-UHFFFAOYSA-N |
| Molecular Weight | 330.383 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(OC(C=1C(=CC=CC1)C)=O)C=1C=CC=CC1)=O |