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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(3-methylbutyl)-
SpectraBase Compound ID 5IWSv8V4x02
InChI InChI=1S/C13H22N2O3/c1-6-13(8-7-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3
InChIKey SETFOBQXPZJCGE-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C13H22N2O3
Exact Mass 254.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IOmXAXu38f
Name Amobarbital 2ME
CAS Registry Number 28239-46-5
Classification Hypnotic
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Exact Mass 254.163042573 u
Formula C13H22N2O3
InChI InChI=1S/C13H22N2O3/c1-6-13(8-7-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3
InChIKey SETFOBQXPZJCGE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.330 g/mol
SMILES C(CC1(CC)C(=O)N(C(N(C1=O)C)=O)C)C(C)C
SPLASH splash10-00lr-3900000000-7156432ed22925ecbb40
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
Technique GC/MS
Wiley ID MMPW6e_51