| SpectraBase Compound ID | AThwcePuXe5 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-15-23-19(21)9-6-10-20(22)24-18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-5,7-8,11-14H,2,6,9-10,15H2,1H3 |
| InChIKey | NOEQSRZFCXVZBE-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 | GE3Bos2V2Ku |
|---|---|
| Name | Glutaric acid, 4-biphenyl propyl 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/c1-2-15-23-19(21)9-6-10-20(22)24-18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-5,7-8,11-14H,2,6,9-10,15H2,1H3 |
| InChIKey | NOEQSRZFCXVZBE-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=CC=CC(=C1)C1=CC=C(C=C1)OC(CCCC(OCCC)=O)=O |