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Phenylbutazone-M (HO-) ME     @
SpectraBase Compound ID 5TSGXRujlQz
InChI InChI=1S/C20H22N2O3/c1-15(23)13-14-18-19(24)21(16-9-5-3-6-10-16)22(20(18)25-2)17-11-7-4-8-12-17/h3-12,15,23H,13-14H2,1-2H3
InChIKey WHZPQTUUAHCVGR-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37GV5ZOMAhE
Name Phenylbutazone-M (HO-) ME @
Classification Analgesic Antiphlogistic
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Exact Mass 338.163042573 u
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-15(23)13-14-18-19(24)21(16-9-5-3-6-10-16)22(20(18)25-2)17-11-7-4-8-12-17/h3-12,15,23H,13-14H2,1-2H3
InChIKey WHZPQTUUAHCVGR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.407 g/mol
SMILES COC=1N(c2ccccc2)N(C(=O)C1CCC(C)O)c1ccccc1
SPLASH splash10-001i-4912000000-b6b5f6e5fca038866355
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: P UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phenylbutazone-M (HO-alkyl-) ME Suxibuzone-M/artifact (HO-alkyl-phenylbutazone) ME
Technique GC/MS
Wiley ID MMPW6e_6383