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Ketoprofen-M (OH) 2ME I
SpectraBase Compound ID 8avhMe6ZUEe
InChI InChI=1S/C18H18O4/c1-12(18(20)22-3)13-6-4-7-14(10-13)17(19)15-8-5-9-16(11-15)21-2/h4-12H,1-3H3
InChIKey RSKJLVJQVNOJIJ-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gxDdO7E2a
Name Ketoprofen-M (HO-) isomer-2 2ME
Classification Antirheumatic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-12(18(20)22-3)13-6-4-7-14(10-13)17(19)15-8-5-9-16(11-15)21-2/h4-12H,1-3H3
InChIKey RSKJLVJQVNOJIJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 298.338 g/mol
SMILES C(c1cc(C(C(=O)OC)C)ccc1)(c1cc(OC)ccc1)=O
SPLASH splash10-000j-3980000000-82ec523a19799b36d3fc
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_5214