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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57ZUYA6pACo
Name (+)-Ibuprofen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
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
Molecular Weight 206.285 g/mol
SMILES OC([C@](c1ccc(cc1)CC(C)C)(C)[H])=O
SPLASH splash10-03di-2910000000-177f1ad8601109b50194
Source of Spectrum Y1-46-1532-6
Synonyms (2S)-2-(4-isobutylphenyl)propanoic acid (2S)-2-(4-isobutylphenyl)propionic acid (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Wiley ID 1622345