| SpectraBase Compound ID | AKZvkm4Wmou |
|---|---|
| InChI | InChI=1S/C22H18O4/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h1-14H,15-16H2 |
| InChIKey | OIVQLSUKOZNNCT-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 | KICUVNtwQDd |
|---|---|
| Name | Isophthalic acid, dibenzyl ester |
| 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/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h1-14H,15-16H2 |
| InChIKey | OIVQLSUKOZNNCT-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | C=1C(=CC=CC1C(OCC=1C=CC=CC1)=O)C(OCC=1C=CC=CC1)=O |