| SpectraBase Compound ID | Ax4QQoRmLgR |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-26(27)23(4)25-18-16-24(17-19-25)21-22(2)3/h16-19,22-23H,5-15,20-21H2,1-4H3 |
| InChIKey | AYEGXDVMHSIEBT-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4qvqlNaIzf |
|---|---|
| Name | Ibuprofen, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.334130655 u |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-26(27)23(4)25-18-16-24(17-19-25)21-22(2)3/h16-19,22-23H,5-15,20-21H2,1-4H3 |
| InChIKey | AYEGXDVMHSIEBT-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCCCC)C |