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6-(Heptadecafluorooctyl)-2-phenylpyrimidin-4(3H)-one

View entire compound with spectra: 1 MS (GC)

6-(Heptadecafluorooctyl)-2-phenylpyrimidin-4(3H)-one
SpectraBase Compound ID LnjoORzUTps
InChI InChI=1S/C18H7F17N2O/c19-11(20,8-6-9(38)37-10(36-8)7-4-2-1-3-5-7)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1-6H,(H,36,37,38)
InChIKey KQBHOBBUFLANNC-UHFFFAOYSA-N
Mol Weight 590.24 g/mol
Molecular Formula C18H7F17N2O
Exact Mass 590.028692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lPVNRSxqip
Name 6-(Heptadecafluorooctyl)-2-phenylpyrimidin-4(3H)-one
Alternate Name(s) 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-phenyl-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H7F17N2O
InChI InChI=1S/C18H7F17N2O/c19-11(20,8-6-9(38)37-10(36-8)7-4-2-1-3-5-7)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1-6H,(H,36,37,38)
InChIKey KQBHOBBUFLANNC-UHFFFAOYSA-N
Molecular Weight 590.240 g/mol
SMILES N1C(=NC(=CC1=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1
SPLASH splash10-0udl-0900060000-01957ab465866bff78ad
Source of Spectrum SO-0-999-6
Wiley ID 873899