| SpectraBase Compound ID | 7QYeSlMOrhH |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-5-6-7-8-9-14-22-20(21)17(4)19-12-10-18(11-13-19)15-16(2)3/h10-13,16-17H,5-9,14-15H2,1-4H3 |
| InChIKey | VRFMZSTUQGMPQJ-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LRCiWqsCIMS |
|---|---|
| Name | Ibuprofen, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-5-6-7-8-9-14-22-20(21)17(4)19-12-10-18(11-13-19)15-16(2)3/h10-13,16-17H,5-9,14-15H2,1-4H3 |
| InChIKey | VRFMZSTUQGMPQJ-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCC)C |