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Ibuprofen, decyl ester

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

Ibuprofen, decyl ester
SpectraBase Compound ID 4yElPeOouxu
InChI InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-17-25-23(24)20(4)22-15-13-21(14-16-22)18-19(2)3/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey UPSCHJQYUMXKRL-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L6z4yTqh6Ze
Name Ibuprofen, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-17-25-23(24)20(4)22-15-13-21(14-16-22)18-19(2)3/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey UPSCHJQYUMXKRL-UHFFFAOYSA-N
Molecular Weight 346.555 g/mol
SMILES C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933937