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5-Ethyl-5-(3-ketobutyl)barbituric acid
SpectraBase Compound ID AhSruj7UMBe
InChI InChI=1S/C10H14N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKey HSOYKAKLDCBODZ-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C10H14N2O4
Exact Mass 226.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23V4PvDjRk9
Name Butobarbital-M (oxo-)
Classification Hypnotic
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Exact Mass 226.095356935 u
Formula C10H14N2O4
InChI InChI=1S/C10H14N2O4/c1-3-10(5-4-6(2)13)7(14)11-9(16)12-8(10)15/h3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKey HSOYKAKLDCBODZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 226.232 g/mol
SMILES CCC1(CCC(C)=O)C(=O)NC(=O)NC1=O
SPLASH splash10-0a4i-3900000000-53c914e6a84a458f85dd
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: U UHY UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_158