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7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione-d4
SpectraBase Compound ID 1BRWnv6e6CP
InChI InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3/i3D2,4D2
InChIKey QCIARNIKNKKHFH-KHORGVISSA-N
Mol Weight 246.69 g/mol
Molecular Formula C9H72D4ClN4O2
Exact Mass 246.08216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEuQMOPMn6i
Name 7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7D4ClN4O2
InChI InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3/i3D2,4D2
InChIKey QCIARNIKNKKHFH-KHORGVISSA-N
Literature Reference DOI 10.1002/jccs.200800099
Molecular Weight 246.690 g/mol
SMILES C1(N(C(N(c2c1[n](cn2)C([2D])([2D])C(Cl)([2D])[2D])C)=O)C)=O
SPLASH splash10-0002-3290000000-fe35d2c5e40723f6e239
Source of Spectrum QA-55-665-5
Synonyms 7-(2-Chloroethyl-1,1,2,2-d4)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1796370