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Ibuprofen, nonyl ester

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

Ibuprofen, nonyl ester
SpectraBase Compound ID Jzeu1okxoUF
InChI InChI=1S/C22H36O2/c1-5-6-7-8-9-10-11-16-24-22(23)19(4)21-14-12-20(13-15-21)17-18(2)3/h12-15,18-19H,5-11,16-17H2,1-4H3
InChIKey OLLWIVFSCIRRQY-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2DBFh7hQLlX
Name Ibuprofen, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-5-6-7-8-9-10-11-16-24-22(23)19(4)21-14-12-20(13-15-21)17-18(2)3/h12-15,18-19H,5-11,16-17H2,1-4H3
InChIKey OLLWIVFSCIRRQY-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853119