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Phenylbutazone ME             @
SpectraBase Compound ID 2VSam6KNQBI
InChI InChI=1S/C20H22N2O2/c1-3-4-15-18-19(23)21(16-11-7-5-8-12-16)22(20(18)24-2)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey HZWCYMHYZRAXMH-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kJ4LHZUO30
Name Phenylbutazone ME @
Classification Analgesic Antiphlogistic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-3-4-15-18-19(23)21(16-11-7-5-8-12-16)22(20(18)24-2)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey HZWCYMHYZRAXMH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.408 g/mol
SMILES c1(ccccc1)N1C(=C(C(=O)N1c1ccccc1)CCCC)OC
SPLASH splash10-00ai-7914000000-e21e524d24178483984f
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 Suxibuzone-M/artifact (phenylbutazone) ME
Technique GC/MS
Wiley ID MMPW6e_863