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1,7-Diethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6e1EQjRn4bX
InChI InChI=1S/C10H14N4O2/c1-4-13-6-11-8-7(13)9(15)14(5-2)10(16)12(8)3/h6H,4-5H2,1-3H3
InChIKey PUHCQHGITXYVPE-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8BVuCq9JD0
Name 1,7-Diethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 54889-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
InChI InChI=1S/C10H14N4O2/c1-4-13-6-11-8-7(13)9(15)14(5-2)10(16)12(8)3/h6H,4-5H2,1-3H3
InChIKey PUHCQHGITXYVPE-UHFFFAOYSA-N
Molecular Weight 222.248 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)CC)[n](CC)cn1
SPLASH splash10-00di-6970000000-ed332ea3b36bedf9680e
Source of Spectrum JZ-1992-1040-0
Synonyms 1H-Purine-2,6-dione, 1,7-diethyl-2,3,6,7-tetrahydro-3-methyl- 1,7-Diethyl-3-methyl-purine-2,6-dione 1,7-Diethyl-3-methyl-xanthine 1,7-Diethyl-3-methylpurine-2,6-dione
Wiley ID 1221899