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Ibuprofen, pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Ibuprofen, pentadecyl ester
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F7Pa3coaERF
Name Ibuprofen, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918602