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2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-
SpectraBase Compound ID DlaaO852S2n
InChI InChI=1S/C13H20N2O3/c1-6-7-13(8-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3
InChIKey GDEXVBXMOVNKKD-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C13H20N2O3
Exact Mass 252.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfrHg2YfCAB
Name Butalbital 2ME
Classification Hypnotic
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Exact Mass 252.147392509 u
Formula C13H20N2O3
InChI InChI=1S/C13H20N2O3/c1-6-7-13(8-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3
InChIKey GDEXVBXMOVNKKD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 252.314 g/mol
SMILES C1(CC(C)C)(C(N(C(=O)N(C1=O)C)C)=O)CC=C
SPLASH splash10-0002-2910000000-71150d19dd68eb9f8177
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: PME
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_154