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3-Ethyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 68tqNcLNi7C
InChI InChI=1S/C9H12N4O2/c1-4-13-7-6(11(2)5-10-7)8(14)12(3)9(13)15/h5H,4H2,1-3H3
InChIKey KHZSLIYYSMHPLX-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C9H12N4O2
Exact Mass 208.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeHwF6ADre4
Name 3-Ethyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 7464-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O2
InChI InChI=1S/C9H12N4O2/c1-4-13-7-6(11(2)5-10-7)8(14)12(3)9(13)15/h5H,4H2,1-3H3
InChIKey KHZSLIYYSMHPLX-UHFFFAOYSA-N
Molecular Weight 208.221 g/mol
SMILES c12c(C(=O)N(C(N2CC)=O)C)[n](C)cn1
SPLASH splash10-0a4r-3940000000-e7414b0551dc5dff67f4
Source of Spectrum JC-494-114-3
Synonyms Theobromine ethyl 3-Ethyl-1,7-dimethyl-purine-2,6-dione 3-Ethyl-1,7-dimethyl-xanthine
Wiley ID 1206322