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6-(.omega.-Chlorodecafluoropentyl)-2-methylpyrimidin-4(3H)-one
SpectraBase Compound ID 3U0PaZvCaFB
InChI InChI=1S/C10H5ClF10N2O/c1-3-22-4(2-5(24)23-3)6(12,13)7(14,15)8(16,17)9(18,19)10(11,20)21/h2H,1H3,(H,22,23,24)
InChIKey SYXRUXCTJWMARY-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C10H5ClF10N2O
Exact Mass 393.993072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4apCrhF1SS
Name 6-(.omega.-Chlorodecafluoropentyl)-2-methylpyrimidin-4(3H)-one
Alternate Name(s) 6-(.omega.Chlorodecafluoropentyl)-2-methylpyrimidin-4(3H)-one 6-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-2-methyl-4(3H)-pyrimidinone 4-(.omega.Chlorodecafluoropentyl)-2-methylpyridin-6-one
Comments Note: The molecular formula of the structure shown is C10H5ClF10N2O - which differs from the formula reported for the mass spectrum (C11H5ClF12N2O)
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Formula C11H5ClF12N2O
InChI InChI=1S/C10H5ClF10N2O/c1-3-22-4(2-5(24)23-3)6(12,13)7(14,15)8(16,17)9(18,19)10(11,20)21/h2H,1H3,(H,22,23,24)
InChIKey SYXRUXCTJWMARY-UHFFFAOYSA-N
Molecular Weight 394.600 g/mol
SMILES N1C(C=C(N=C1C)C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0536-4900300000-5ebf3a56322c3c7c96bf
Source of Spectrum SO-0-1000-7
Wiley ID 873894