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Ibuprofen, tridecyl ester

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

Ibuprofen, tridecyl ester
SpectraBase Compound ID Ax4QQoRmLgR
InChI InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-26(27)23(4)25-18-16-24(17-19-25)21-22(2)3/h16-19,22-23H,5-15,20-21H2,1-4H3
InChIKey AYEGXDVMHSIEBT-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H44O2
Exact Mass 388.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5x5YaIC1dft
Name Ibuprofen, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.334130655 u
Formula C26H44O2
InChI InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-26(27)23(4)25-18-16-24(17-19-25)21-22(2)3/h16-19,22-23H,5-15,20-21H2,1-4H3
InChIKey AYEGXDVMHSIEBT-UHFFFAOYSA-N
Molecular Weight 388.636 g/mol
SMILES C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914791