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Diisopropyl{2-[2-amino-6-(pyrrolidino)-7H-purine-7-yl]ethoxy}methylphosphonate
SpectraBase Compound ID JUh0uWa5MSj
InChI InChI=1S/C18H31N6O4P/c1-13(2)27-29(25,28-14(3)4)12-26-10-9-24-11-20-16-15(24)17(22-18(19)21-16)23-7-5-6-8-23/h11,13-14H,5-10,12H2,1-4H3,(H2,19,21,22)
InChIKey IHMQRRHFCIXLPH-UHFFFAOYSA-N
Mol Weight 426.46 g/mol
Molecular Formula C18H31N6O4P
Exact Mass 426.21444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ktcBeHkIqM
Name Diisopropyl{2-[2-amino-6-(pyrrolidino)-7H-purine-7-yl]ethoxy}methylphosphonate
Alternate Name(s) Diisopropyl ((2-(2-amino-6-(pyrrolidin-1-yl)-7H-purin-7-yl)ethoxy)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31N6O4P
InChI InChI=1S/C18H31N6O4P/c1-13(2)27-29(25,28-14(3)4)12-26-10-9-24-11-20-16-15(24)17(22-18(19)21-16)23-7-5-6-8-23/h11,13-14H,5-10,12H2,1-4H3,(H2,19,21,22)
InChIKey IHMQRRHFCIXLPH-UHFFFAOYSA-N
Molecular Weight 426.458 g/mol
SMILES Nc1nc2c(c(n1)N1CCCC1)[n](cn2)CCOCP(=O)(OC(C)C)OC(C)C
SPLASH splash10-0gyw-5790100000-d228c23eb6da8bff231a
Source of Spectrum F-69-689-10b
Wiley ID 1737679