| SpectraBase Compound ID | F1wJB5YAFpA |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-17-25-21(23)11-7-8-12-22(24)26-20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12,17H2,1H3 |
| InChIKey | LXPZKSLCOIEKRJ-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FFN74Li7JV |
|---|---|
| Name | Adipic acid, 4-biphenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-17-25-21(23)11-7-8-12-22(24)26-20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12,17H2,1H3 |
| InChIKey | LXPZKSLCOIEKRJ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(CCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCC)=O |