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1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
SpectraBase Compound ID 7Vmud9O8HOj
InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i1D3,2D3
InChIKey ZFXYFBGIUFBOJW-WFGJKAKNSA-N
Mol Weight 186.2 g/mol
Molecular Formula C7H22D6N4O2
Exact Mass 186.102386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZsL5YdkTfR
Name 1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2D6N4O2
InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i1D3,2D3
InChIKey ZFXYFBGIUFBOJW-WFGJKAKNSA-N
Molecular Weight 186.204 g/mol
SMILES [nH]1cnc2c1C(N(C(N2C([2D])([2D])[2D])=O)C([2D])([2D])[2D])=O
SPLASH splash10-0072-9200000000-32c1f50ba14304c5886a
Source of Spectrum KO-9-344-3
Synonyms 1,3-bis(trideuteriomethyl)-7H-purine-2,6-quinone
Wiley ID 88228