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9-[(Z)-2-bromanyl-4-diethoxyphosphoryl-4,4-bis(fluoranyl)but-2-enyl]purin-6-amine
SpectraBase Compound ID K0HrZI03i4U
InChI InChI=1S/C13H17BrF2N5O3P/c1-3-23-25(22,24-4-2)13(15,16)5-9(14)6-21-8-20-10-11(17)18-7-19-12(10)21/h5,7-8H,3-4,6H2,1-2H3,(H2,17,18,19)/b9-5-
InChIKey TXGRMBWMGAZJPG-UITAMQMPSA-N
Mol Weight 440.19 g/mol
Molecular Formula C13H17BrF2N5O3P
Exact Mass 439.022046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ClV5bwRNjz
Name 9-[(Z)-2-bromanyl-4-diethoxyphosphoryl-4,4-bis(fluoranyl)but-2-enyl]purin-6-amine
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Formula C13H17BrF2N5O3P
InChI InChI=1S/C13H17BrF2N5O3P/c1-3-23-25(22,24-4-2)13(15,16)5-9(14)6-21-8-20-10-11(17)18-7-19-12(10)21/h5,7-8H,3-4,6H2,1-2H3,(H2,17,18,19)/b9-5-
InChIKey TXGRMBWMGAZJPG-UITAMQMPSA-N
Molecular Weight 440.186 g/mol
SMILES Nc1c2c([n](cn2)C\C(=C\C(P(=O)(OCC)OCC)(F)F)Br)ncn1
SPLASH splash10-0udi-0190000000-1c85d555eba09020eefa
Source of Spectrum F-53-5393-8
Synonyms 9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluoro-but-2-enyl]purin-6-amine 9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-2-enyl]-6-purinamine [9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluoro-but-2-enyl]purin-6-yl]amine
Wiley ID 801687