| SpectraBase Compound ID | BcfdAWiOqxL |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(2)25-22(23)20-17-14-15-18-21(20)24-3/h14-15,17-19H,4-13,16H2,1-3H3 |
| InChIKey | RSSYGAOMXBLPKW-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5BWuM7dB6D |
|---|---|
| Name | o-Anisic acid, 2-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(2)25-22(23)20-17-14-15-18-21(20)24-3/h14-15,17-19H,4-13,16H2,1-3H3 |
| InChIKey | RSSYGAOMXBLPKW-UHFFFAOYSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CCCCCCCCCCCC)C)=O)OC |