| SpectraBase Compound ID | 8g8Alau8SLN |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-4-14-23-19-10-12-20(13-11-19)24-21(22)18-8-6-17(7-9-18)15-16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3 |
| InChIKey | ALINTPAWQCZCBC-UHFFFAOYSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C21H26O3 |
| Exact Mass | 326.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35usddpNdhg |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-propoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.188194694 u |
| Formula | C21H26O3 |
| InChI | InChI=1S/C21H26O3/c1-4-14-23-19-10-12-20(13-11-19)24-21(22)18-8-6-17(7-9-18)15-16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3 |
| InChIKey | ALINTPAWQCZCBC-UHFFFAOYSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | CCCOC1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)CC(C)CC |