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1-[6-[deuterio-(4,4-dideuterio-4-acetoxy-3-methyl-butyl)amino]purin-9-yl]ethanone
SpectraBase Compound ID GCzPyRB4Stv
InChI InChI=1S/C14H19N5O3/c1-9(6-22-11(3)21)4-5-15-13-12-14(17-7-16-13)19(8-18-12)10(2)20/h7-9H,4-6H2,1-3H3,(H,15,16,17)/i6D2/hD
InChIKey QWSHMANJEYLKBS-JBLQMODDSA-N
Mol Weight 308.36 g/mol
Molecular Formula C14H162D3N5O3
Exact Mass 308.16762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6btkKKLpfjh
Name 1-[6-[deuterio-(4,4-dideuterio-4-acetoxy-3-methyl-butyl)amino]purin-9-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16D3N5O3
InChI InChI=1S/C14H19N5O3/c1-9(6-22-11(3)21)4-5-15-13-12-14(17-7-16-13)19(8-18-12)10(2)20/h7-9H,4-6H2,1-3H3,(H,15,16,17)/i6D2/hD
InChIKey QWSHMANJEYLKBS-JBLQMODDSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 308.356 g/mol
SMILES c1(ncnc2c1nc[n]2C(C)=O)N(CCC(C(OC(C)=O)([2D])[2D])C)[2D]
SPLASH splash10-01ow-1910000000-62ff31550c2e4379c85c
Source of Spectrum PA-7-63-63_18
Synonyms 4-((9-acetyl-9H-purin-6-yl)amino-d)-2-methylbutyl-1,1-d2 acetate
Wiley ID 1800152