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3-(hydroxymethyl)-4-isopropyl-2-methyl-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID 48Osmmf6w2O
InChI InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)15(3)16(14(13)18)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKey DGXFYROLSAYIBJ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C14H18N2O2
Exact Mass 246.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6C0L3wORoC
Name Propyphenazone-M (HO-methyl-) @
Classification Analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 246.136827826 u
Formula C14H18N2O2
InChI InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)15(3)16(14(13)18)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKey DGXFYROLSAYIBJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 246.310 g/mol
SMILES CN1N(c2ccccc2)C(=O)C(=C1CO)C(C)C
SPLASH splash10-001i-5490000000-d18f36c3361c373a4a7f
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: UHY
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Famprofazone-M (HO-propyphenazone)
Technique GC/MS
Wiley ID MMPW6e_912