| SpectraBase Compound ID | FyiROBbKAoV |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-2-25-21(23)17-11-8-12-18(15-17)22(24)26-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-15H,2H2,1H3 |
| InChIKey | OXWBJNLVOLBYDT-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 | 7jaEegahZLm |
|---|---|
| Name | Isophthalic acid, 2-biphenyl ethyl 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/c1-2-25-21(23)17-11-8-12-18(15-17)22(24)26-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-15H,2H2,1H3 |
| InChIKey | OXWBJNLVOLBYDT-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | C1=CC=C(C=C1)C=1C(OC(C2=CC(=CC=C2)C(OCC)=O)=O)=CC=CC1 |