| SpectraBase Compound ID | 1izhdNcc1Si |
|---|---|
| InChI | InChI=1S/C23H22O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3 |
| InChIKey | LPTPHOTZYYIPFH-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C23H22O2 |
| Exact Mass | 330.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iYttAsDiNG |
|---|---|
| Name | 4-Butylbenzoic acid, 4-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.161979946 u |
| Formula | C23H22O2 |
| InChI | InChI=1S/C23H22O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3 |
| InChIKey | LPTPHOTZYYIPFH-UHFFFAOYSA-N |
| Molecular Weight | 330.427 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1)CCCC |