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1,3-Diethyl-7-methylxanthine
SpectraBase Compound ID 6YEQg2v39CY
InChI InChI=1S/C8H10N4O2.2C2H6/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;2*1-2/h4H,1-3H3;2*1-2H3
InChIKey GNOVQTIECJMUHB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C12H22N4O2
Exact Mass 254.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcETuq61QIg
Name 1,3-Diethyl-7-methylxanthine
Comments (unverified)
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Formula C12H22N4O2
InChI InChI=1S/C8H10N4O2.2C2H6/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;2*1-2/h4H,1-3H3;2*1-2H3
InChIKey GNOVQTIECJMUHB-UHFFFAOYSA-N
SMILES CC.c1[n](c2C(N(C(N(c2n1)C)=O)C)=O)C.CC
SPLASH splash10-00ku-4900000000-3e599437c2c4297f86f5
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences