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Oxyphenbutazone isomer-1 2ME         @
SpectraBase Compound ID L3OpTb3DKkh
InChI InChI=1S/C21H24N2O3/c1-4-5-11-19-20(24)22(17-12-14-18(25-2)15-13-17)23(21(19)26-3)16-9-7-6-8-10-16/h6-10,12-15H,4-5,11H2,1-3H3
InChIKey VYUGZVZVMDXOCG-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3putZrrioi
Name Oxyphenbutazone isomer-1 2ME @
Classification Antiphlogistic
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Exact Mass 352.178692638 u
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-4-5-11-19-20(24)22(17-12-14-18(25-2)15-13-17)23(21(19)26-3)16-9-7-6-8-10-16/h6-10,12-15H,4-5,11H2,1-3H3
InChIKey VYUGZVZVMDXOCG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.434 g/mol
SMILES COc1ccc(cc1)N1N(C(=C(CCCC)C1=O)OC)c1ccccc1
SPLASH splash10-116r-8934000000-e53cecbfb5d137190a43
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
Synonyms Phenylbutazone-M (HO-) isomer-1 2ME
Technique GC/MS
Wiley ID MMPW6e_1505