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1-[1-(Bromomethyl)-2-(2,2,2-trichloroethyl)cyclopent-5-yl]-(1H,3H)-5-methyl-pyrimidine-2,4-dione
SpectraBase Compound ID 66mpFJXBtuY
InChI InChI=1S/C13H16BrCl3N2O2/c1-7-6-19(12(21)18-11(7)20)10-3-2-8(9(10)5-14)4-13(15,16)17/h6,8-10H,2-5H2,1H3,(H,18,20,21)
InChIKey PIDFMBCKKHMJDN-UHFFFAOYSA-N
Mol Weight 418.55 g/mol
Molecular Formula C13H16BrCl3N2O2
Exact Mass 415.946074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkkVoPFcjIS
Name 1-[1-(Bromomethyl)-2-(2,2,2-trichloroethyl)cyclopent-5-yl]-(1H,3H)-5-methyl-pyrimidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C13H16BrCl3N2O2
InChI InChI=1S/C13H16BrCl3N2O2/c1-7-6-19(12(21)18-11(7)20)10-3-2-8(9(10)5-14)4-13(15,16)17/h6,8-10H,2-5H2,1H3,(H,18,20,21)
InChIKey PIDFMBCKKHMJDN-UHFFFAOYSA-N
Molecular Weight 418.546 g/mol
SMILES N1C(C(=CN(C1=O)C1C(C(CC(Cl)(Cl)Cl)CC1)CBr)C)=O
SPLASH splash10-004i-0900000000-cfc95c73212640d66ccb
Source of Spectrum J-68-1241-0
Synonyms 1-[2-(bromomethyl)-3-(2,2,2-trichloroethyl)cyclopentyl]-5-methyl-2,4(1H,3H)-pyrimidinedione
Wiley ID 1536497