| SpectraBase Compound ID | AuGugIa77bj |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-5-6-7-8-9-10-11-12-13-14-19-27-25(26)22(4)24-17-15-23(16-18-24)20-21(2)3/h15-18,21-22H,5-14,19-20H2,1-4H3 |
| InChIKey | AGCFZEYUKWHLRE-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IleBvmKGjjD |
|---|---|
| Name | Ibuprofen, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-5-6-7-8-9-10-11-12-13-14-19-27-25(26)22(4)24-17-15-23(16-18-24)20-21(2)3/h15-18,21-22H,5-14,19-20H2,1-4H3 |
| InChIKey | AGCFZEYUKWHLRE-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCCC)C |