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1,3,7-trimethyl-8-sec-butyl-purine-2,6-dione
SpectraBase Compound ID HZGvN3lFEtY
InChI InChI=1S/C12H18N4O2/c1-6-7(2)9-13-10-8(14(9)3)11(17)16(5)12(18)15(10)4/h7H,6H2,1-5H3
InChIKey UXKCIZQCJSQAQS-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C12H18N4O2
Exact Mass 250.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DixLyO5Vn34
Name 1,3,7-trimethyl-8-sec-butyl-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O2
InChI InChI=1S/C12H18N4O2/c1-6-7(2)9-13-10-8(14(9)3)11(17)16(5)12(18)15(10)4/h7H,6H2,1-5H3
InChIKey UXKCIZQCJSQAQS-UHFFFAOYSA-N
Molecular Weight 250.302 g/mol
SMILES c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(CC)C
SPLASH splash10-0fk9-0190000000-5185107c059d4ab17277
Source of Spectrum U-1993-1046-7
Synonyms 1,3,7-trimethyl-8-sec-butyl-xanthine 8-Butan-2-yl-1,3,7-trimethyl-purine-2,6-dione
Wiley ID 765404