| SpectraBase Compound ID | 8j8KGw5LeKE |
|---|---|
| InChI | InChI=1S/C22H28O3/c1-4-6-15-24-20-11-13-21(14-12-20)25-22(23)19-9-7-18(8-10-19)16-17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3 |
| InChIKey | QSVBWCOAGUPGSN-UHFFFAOYSA-N |
| Mol Weight | 340.46 g/mol |
| Molecular Formula | C22H28O3 |
| Exact Mass | 340.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbQ2VhG2vCk |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-butoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.203844759 u |
| Formula | C22H28O3 |
| InChI | InChI=1S/C22H28O3/c1-4-6-15-24-20-11-13-21(14-12-20)25-22(23)19-9-7-18(8-10-19)16-17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3 |
| InChIKey | QSVBWCOAGUPGSN-UHFFFAOYSA-N |
| Molecular Weight | 340.463 g/mol |
| SMILES | CCCCOC1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)CC(C)CC |