| SpectraBase Compound ID | 70mwDwbnTR |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27(28)24(4)26-19-17-25(18-20-26)22-23(2)3/h17-20,23-24H,5-16,21-22H2,1-4H3 |
| InChIKey | NXSBXGGCVHHBSY-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3NwUTUvB03 |
|---|---|
| Name | Ibuprofen, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27(28)24(4)26-19-17-25(18-20-26)22-23(2)3/h17-20,23-24H,5-16,21-22H2,1-4H3 |
| InChIKey | NXSBXGGCVHHBSY-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCCCCC)C |