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7-BUTYL-1,3-DIMETHYLXANTHINE
SpectraBase Compound ID 2YhrTBFyycj
InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3
InChIKey CPRWWXKLQNLTSZ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C11H16N4O2
Exact Mass 236.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RECFRqbWx8
Name 7-Butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N4O2
InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3
InChIKey CPRWWXKLQNLTSZ-UHFFFAOYSA-N
Molecular Weight 236.275 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CCCC)cn1
SPLASH splash10-001c-5960000000-b3086cedbc2939b931c5
Source of Spectrum KO-9-106-3
Synonyms 7-Butyl-1,3-dimethyl-purine-2,6-dione 7-Butyl-1,3-dimethyl-xanthine
Wiley ID 1237759