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2,4,6(1H,3H,5H)-Pyrimidine-trione, 1,3-dimethyl-5-(2-bromo-prop-2-en-1-yl)-5-(2-pentyl)-
SpectraBase Compound ID HGdl4IXrnGf
InChI InChI=1S/C14H21BrN2O3/c1-6-7-9(2)14(8-10(3)15)11(18)16(4)13(20)17(5)12(14)19/h9H,3,6-8H2,1-2,4-5H3
InChIKey LQZRFQNFDLZPQN-UHFFFAOYSA-N
Mol Weight 345.24 g/mol
Molecular Formula C14H21BrN2O3
Exact Mass 344.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aCugqcPkkF
Name Sigmodal 2ME
Classification Hypnotic
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Exact Mass 344.073555541 u
Formula C14H21BrN2O3
InChI InChI=1S/C14H21BrN2O3/c1-6-7-9(2)14(8-10(3)15)11(18)16(4)13(20)17(5)12(14)19/h9H,3,6-8H2,1-2,4-5H3
InChIKey LQZRFQNFDLZPQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.237 g/mol
SMILES C1(C(N(C(N(C1=O)C)=O)C)=O)(C(CCC)C)CC(Br)=C
SPLASH splash10-0002-4910000000-4ca2ae9421fe2f6641dc
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_966