| SpectraBase Compound ID | IioSKR31VGP |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-23-19(21)10-6-7-11-20(22)24-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3 |
| InChIKey | KQBDEIRQOFZBMJ-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2se39AnGYve |
|---|---|
| Name | Adipic acid, 4-biphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-2-23-19(21)10-6-7-11-20(22)24-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3 |
| InChIKey | KQBDEIRQOFZBMJ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(CCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCC)=O |