| SpectraBase Compound ID | rR1szJe1sv |
|---|---|
| InChI | InChI=1S/C28H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-31-28(29)23(2)24-16-17-26-22-27(30-3)19-18-25(26)21-24/h16-19,21-23H,4-15,20H2,1-3H3 |
| InChIKey | KXUZZUZBCODXKU-UHFFFAOYSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C28H42O3 |
| Exact Mass | 426.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQ7Zo99BLb1 |
|---|---|
| Name | Naproxen, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.313395209 u |
| Formula | C28H42O3 |
| InChI | InChI=1S/C28H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-31-28(29)23(2)24-16-17-26-22-27(30-3)19-18-25(26)21-24/h16-19,21-23H,4-15,20H2,1-3H3 |
| InChIKey | KXUZZUZBCODXKU-UHFFFAOYSA-N |
| Molecular Weight | 426.641 g/mol |
| SMILES | C1(=CC2=CC=C(C=C2C=C1)OC)C(C(OCCCCCCCCCCCCCC)=O)C |