| SpectraBase Compound ID | 9T0fv19glq7 |
|---|---|
| InChI | InChI=1S/C23H22O2/c1-2-3-9-18-14-16-20(17-15-18)23(24)25-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-17H,2-3,9H2,1H3 |
| InChIKey | HZVGERZMDUCKHE-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 | IAktNB44FVg |
|---|---|
| Name | 4-Butylbenzoic acid, 2-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/c1-2-3-9-18-14-16-20(17-15-18)23(24)25-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-17H,2-3,9H2,1H3 |
| InChIKey | HZVGERZMDUCKHE-UHFFFAOYSA-N |
| Molecular Weight | 330.427 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC1=C(C2=CC=CC=C2)C=CC=C1)=O |