| SpectraBase Compound ID | KJRo30fOCz2 |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-4-14(2)13-15-5-7-16(8-6-15)19(20)22-18-11-9-17(21-3)10-12-18/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | QTETXTLSRLVGIR-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8qn7VGBPRj |
|---|---|
| Name | Benzoic acid, 4-(2-methylbutyl)-, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-4-14(2)13-15-5-7-16(8-6-15)19(20)22-18-11-9-17(21-3)10-12-18/h5-12,14H,4,13H2,1-3H3 |
| InChIKey | QTETXTLSRLVGIR-UHFFFAOYSA-N |
| SMILES | CCC(C)CC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)OC |