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8-(4-Chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
SpectraBase Compound ID 5olCHeKBeCC
InChI InChI=1S/C18H21ClN4O3/c1-11(2)9-10-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKey CNHNKXBHSVEPNE-UHFFFAOYSA-N
Mol Weight 376.84 g/mol
Molecular Formula C18H21ClN4O3
Exact Mass 376.130218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45YCXqJmNka
Name 8-(4-Chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN4O3
InChI InChI=1S/C18H21ClN4O3/c1-11(2)9-10-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKey CNHNKXBHSVEPNE-UHFFFAOYSA-N
Molecular Weight 376.844 g/mol
SMILES CC(CC[n]1c(nc2N(C)C(N(C)C(c12)=O)=O)Oc1ccc(cc1)Cl)C
SPLASH splash10-056r-2229000000-d300170040a63f2d3c8f
Synonyms 8-(4-Chlorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione 8-(4-Chlorophenoxy)-7-isoamyl-1,3-dimethyl-xanthine 8-(4-Chlorophenoxy)-7-isopentyl-1,3-dimethyl-purine-2,6-dione
Wiley ID 1510899