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(S)-(+)-Ibuprofen

Compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

(S)-(+)-Ibuprofen
SpectraBase Compound ID 7nLNxiMKEqZ
InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKey HEFNNWSXXWATRW-JTQLQIEISA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol
Enantiomer InChIKey HEFNNWSXXWATRW-SNVBAGLBSA-N
Racemate InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N

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Raman Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number I0549

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FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number I0549
Technique Film (Dichloromethane)

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ATR-IR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number I0549

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 375160

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y1-46-1532-6

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 375160
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 375160
Solvent CDCl3
  • (S)-(+)-2-(4-Isobutylphenyl)propionic acid
  • (+/-)-IBUPROFEN
  • (+)-Ibuprofen
  • (S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid
(2R)-2-(4-isobutylphenyl)propanoic acid
Ibuprofen
2-(4-Isobutylphenyl)propanoyl chloride
2-(4-tert-butylphenyl)propanoic acid
Benzene, 1-(1-carboxyethyl)-4-(1-formylethyl)-
2-(4-Methoxyphenyl)propanoic acid
(2S)-2-(4-methoxyphenyl)propanoic acid
2-[4-(dicarboxymethyl)phenyl]malonic acid
Methyl 2-(4-Methylphenyl)propionate
rac-3-Amino-2-(4-methylphenyl)propionic Acid
(S)-3-Amino-2-(4-methylphenyl)propionic Acid
Title Journal or Book Year
Resolução do ibuprofeno: um projeto para disciplina de química orgânica experimental Química Nova 2012
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