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8-Propyl-9-(3-mesyloxypropyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6oJKKgbHtNn
InChI InChI=1S/C13H20N4O5S/c1-4-6-9-14-10-11(15-13(19)16(2)12(10)18)17(9)7-5-8-22-23(3,20)21/h4-8H2,1-3H3,(H,15,19)
InChIKey DOBTTWLXZONVGC-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C13H20N4O5S
Exact Mass 344.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ik0QzxAzamO
Name 8-Propyl-9-(3-mesyloxypropyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione
Alternate Name(s) 3-(1-Methyl-2,6-dioxo-8-propyl-1,2,3,6-tetrahydro-9H-purin-9-yl)propyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N4O5S
InChI InChI=1S/C13H20N4O5S/c1-4-6-9-14-10-11(15-13(19)16(2)12(10)18)17(9)7-5-8-22-23(3,20)21/h4-8H2,1-3H3,(H,15,19)
InChIKey DOBTTWLXZONVGC-UHFFFAOYSA-N
Molecular Weight 344.386 g/mol
SMILES N1C(N(C(c2nc([n](c12)CCCOS(=O)(=O)C)CCC)=O)C)=O
SPLASH splash10-00dj-1490000000-55ec483620cbf9ab4322
Source of Spectrum SO-0-839-9
Wiley ID 1545881