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Ketoprofen
SpectraBase Compound ID 2PKiFRacImU
InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey DKYWVDODHFEZIM-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KDHpzHhzCTL
Name Ketoprofen MS2
CAS Registry Number 22071-15-4
Comments F: ITMS + c ESI d w Full ms2 255.10
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey DKYWVDODHFEZIM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(C)C=1C=CC=C(C1)C(C1=CC=CC=C1)=O)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS