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Diisopropyl{2-[2-amino-6-(n-butylamino)-9H-purine-9-yl]ethoxy}methylphosphonate
SpectraBase Compound ID 7vyljHgXBWY
InChI InChI=1S/C18H33N6O4P/c1-6-7-8-20-16-15-17(23-18(19)22-16)24(11-21-15)9-10-26-12-29(25,27-13(2)3)28-14(4)5/h11,13-14H,6-10,12H2,1-5H3,(H3,19,20,22,23)
InChIKey CIJPHDYVEXDPHJ-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C18H33N6O4P
Exact Mass 428.230091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQxhh1j2zjh
Name Diisopropyl{2-[2-amino-6-(n-butylamino)-9H-purine-9-yl]ethoxy}methylphosphonate
Alternate Name(s) Diisopropyl ((2-(2-amino-6-(butylamino)-9H-purin-9-yl)ethoxy)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33N6O4P
InChI InChI=1S/C18H33N6O4P/c1-6-7-8-20-16-15-17(23-18(19)22-16)24(11-21-15)9-10-26-12-29(25,27-13(2)3)28-14(4)5/h11,13-14H,6-10,12H2,1-5H3,(H3,19,20,22,23)
InChIKey CIJPHDYVEXDPHJ-UHFFFAOYSA-N
Molecular Weight 428.474 g/mol
SMILES N(c1nc(nc2c1nc[n]2CCOCP(=O)(OC(C)C)OC(C)C)N)CCCC
SPLASH splash10-0035-1590200000-42d170e6e775ab3a2813
Source of Spectrum F-69-687-9k
Wiley ID 1737688