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Ibuprofen, undecyl ester

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

Ibuprofen, undecyl ester
SpectraBase Compound ID AMtPFuHXzXU
InChI InChI=1S/C24H40O2/c1-5-6-7-8-9-10-11-12-13-18-26-24(25)21(4)23-16-14-22(15-17-23)19-20(2)3/h14-17,20-21H,5-13,18-19H2,1-4H3
InChIKey NAVARDVMHVYAAF-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EwXjb3Salnz
Name Ibuprofen, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-5-6-7-8-9-10-11-12-13-18-26-24(25)21(4)23-16-14-22(15-17-23)19-20(2)3/h14-17,20-21H,5-13,18-19H2,1-4H3
InChIKey NAVARDVMHVYAAF-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C1=CC(=CC=C1CC(C)C)C(C(=O)OCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932577