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Diisopropyl{2-[2-amino-6-(benzylamino)-9H-purine-9-yl]ethoxy}methylphosphonate
SpectraBase Compound ID HjsXU1OgeAm
InChI InChI=1S/C21H31N6O4P/c1-15(2)30-32(28,31-16(3)4)14-29-11-10-27-13-24-18-19(25-21(22)26-20(18)27)23-12-17-8-6-5-7-9-17/h5-9,13,15-16H,10-12,14H2,1-4H3,(H3,22,23,25,26)
InChIKey JVGCGMMAZHHJMP-UHFFFAOYSA-N
Mol Weight 462.49 g/mol
Molecular Formula C21H31N6O4P
Exact Mass 462.21444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx3K6IqP02x
Name Diisopropyl{2-[2-amino-6-(benzylamino)-9H-purine-9-yl]ethoxy}methylphosphonate
Alternate Name(s) Diisopropyl ((2-(2-amino-6-(benzylamino)-9H-purin-9-yl)ethoxy)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N6O4P
InChI InChI=1S/C21H31N6O4P/c1-15(2)30-32(28,31-16(3)4)14-29-11-10-27-13-24-18-19(25-21(22)26-20(18)27)23-12-17-8-6-5-7-9-17/h5-9,13,15-16H,10-12,14H2,1-4H3,(H3,22,23,25,26)
InChIKey JVGCGMMAZHHJMP-UHFFFAOYSA-N
Molecular Weight 462.491 g/mol
SMILES N(c1nc(nc2c1nc[n]2CCOCP(=O)(OC(C)C)OC(C)C)N)Cc1ccccc1
SPLASH splash10-0006-9430100000-30f0a460d0266eaa1502
Source of Spectrum F-69-686-9a
Wiley ID 1737698