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Ibuprofen-M (HO-) isomer-1 ME
SpectraBase Compound ID 7JrGzQd31im
InChI InChI=1S/C14H20O3/c1-10(9-15)8-12-4-6-13(7-5-12)11(2)14(16)17-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKey BITGTTUXZRDAGL-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dA7c1bhPaz
Name Ibuprofen-M (HO-) isomer-2 ME
Classification Analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-10(9-15)8-12-4-6-13(7-5-12)11(2)14(16)17-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKey BITGTTUXZRDAGL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.311 g/mol
SMILES c1c(ccc(C(C)C(=O)OC)c1)CC(CO)C
SPLASH splash10-052f-2900000000-24a93d09b3e4a030d62f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6386