| SpectraBase Spectrum ID |
59KXfo028T5 |
| Name |
Ibuprofen, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953552 |
