| SpectraBase Compound ID | Cnf3d689O1X |
|---|---|
| InChI | InChI=1S/C26H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-26(27)24-20-19-21-25(23-24)28-2/h19-21,23H,3-18,22H2,1-2H3 |
| InChIKey | UBVGQHYZUPQEPU-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C26H44O3 |
| Exact Mass | 404.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5s0ijIP18jr |
|---|---|
| Name | m-Methoxybenzoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.329045274 u |
| Formula | C26H44O3 |
| InChI | InChI=1S/C26H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-26(27)24-20-19-21-25(23-24)28-2/h19-21,23H,3-18,22H2,1-2H3 |
| InChIKey | UBVGQHYZUPQEPU-UHFFFAOYSA-N |
| Molecular Weight | 404.635 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C=C(OC)C=CC1 |