SpectraBase Compound ID | GgsnWNmIgtE |
---|---|
InChI | InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-28(29)25(4)27-20-18-26(19-21-27)23-24(2)3/h18-21,24-25H,5-17,22-23H2,1-4H3 |
InChIKey | LUALSPMZTGUCFH-UHFFFAOYSA-N |
Mol Weight | 416.7 g/mol |
Molecular Formula | C28H48O2 |
Exact Mass | 416.365431 g/mol |
SpectraBase Spectrum ID | 64uT0wWT1BX |
---|---|
Name | Ibuprofen, pentadecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 416.365430784 u |
Formula | C28H48O2 |
InChI | InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-28(29)25(4)27-20-18-26(19-21-27)23-24(2)3/h18-21,24-25H,5-17,22-23H2,1-4H3 |
InChIKey | LUALSPMZTGUCFH-UHFFFAOYSA-N |
Molecular Weight | 416.690 g/mol |
SMILES | C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCCCCCC)C |