For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]ethanone
SpectraBase Compound ID Hm16tMxSfia
InChI InChI=1S/C12H15N5O/c1-8(2)4-5-13-11-10-12(15-6-14-11)17(7-16-10)9(3)18/h4,6-7H,5H2,1-3H3,(H,13,14,15)/i1D3,2D3
InChIKey QFUFXIIBRYBRER-WFGJKAKNSA-N
Mol Weight 251.32 g/mol
Molecular Formula C12H92D6N5O
Exact Mass 251.165321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8i9hBhbjiiZ
Name 1-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9D6N5O
InChI InChI=1S/C12H15N5O/c1-8(2)4-5-13-11-10-12(15-6-14-11)17(7-16-10)9(3)18/h4,6-7H,5H2,1-3H3,(H,13,14,15)/i1D3,2D3
InChIKey QFUFXIIBRYBRER-WFGJKAKNSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 251.323 g/mol
SMILES N(c1ncnc2c1nc[n]2C(=O)C)CC=C(C([2D])([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-01ox-3920000000-0cd9a9acab405166dc19
Source of Spectrum PA-7-63-63_2
Synonyms 1-(6-((3-(methyl-d3)but-2-en-1-yl-4,4,4-d3)amino)-9H-purin-9-yl)ethan-1-one
Wiley ID 1800165