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2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-
SpectraBase Compound ID 9dnYb8aS3TG
InChI InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
InChIKey KKPCLTFASPTTIQ-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C14H22N2O3
Exact Mass 266.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QOKks2pF2
Name Secobarbital 2ME
CAS Registry Number 28239-49-8
Classification Hypnotic
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Exact Mass 266.163042573 u
Formula C14H22N2O3
InChI InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
InChIKey KKPCLTFASPTTIQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 266.341 g/mol
SMILES C1(C(=O)N(C(N(C1=O)C)=O)C)(C(C)CCC)CC=C
SPLASH splash10-0002-2910000000-e5f7a1ea7853f2e5aba3
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.
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_964