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Diisopropyl (E)-2-[2-(adenin-9-yl)ethylidene]-1-cyclopropylphosphonate
SpectraBase Compound ID JaH23uWaIYV
InChI InChI=1S/C16H24N5O3P/c1-10(2)23-25(22,24-11(3)4)13-7-12(13)5-6-21-9-20-14-15(17)18-8-19-16(14)21/h5,8-11,13H,6-7H2,1-4H3,(H2,17,18,19)/b12-5+
InChIKey VXUBFFXHLXVNRW-LFYBBSHMSA-N
Mol Weight 365.37 g/mol
Molecular Formula C16H24N5O3P
Exact Mass 365.161677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrbSg3b3700
Name Diisopropyl (E)-2-[2-(adenin-9-yl)ethylidene]-1-cyclopropylphosphonate
Comments Less than 3 mono-isotopic peaks
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Formula C16H24N5O3P
InChI InChI=1S/C16H24N5O3P/c1-10(2)23-25(22,24-11(3)4)13-7-12(13)5-6-21-9-20-14-15(17)18-8-19-16(14)21/h5,8-11,13H,6-7H2,1-4H3,(H2,17,18,19)/b12-5+
InChIKey VXUBFFXHLXVNRW-LFYBBSHMSA-N
Molecular Weight 365.374 g/mol
SMILES Nc1c2c([n](C\C=C\3C(P(OC(C)C)(OC(C)C)=O)C3)cn2)ncn1
SPLASH splash10-0udi-0090000000-310e552c701497bba4ee
Source of Spectrum F-62-2613-26
Synonyms diisopropyl (2E)-2-[2-(6-amino-9H-purin-9-yl)ethylidene]cyclopropylphosphonate
Wiley ID 1632625