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8-(4-Fluoro-phenoxy)-9-isopropyl-1,3-dimethyl-3,9-dihydro-purine-2,6-dione
SpectraBase Compound ID CHR7TcFHULt
InChI InChI=1S/C16H17FN4O3/c1-9(2)21-13-12(14(22)20(4)16(23)19(13)3)18-15(21)24-11-7-5-10(17)6-8-11/h5-9H,1-4H3
InChIKey JEOZYCPFSRQUMD-UHFFFAOYSA-N
Mol Weight 332.34 g/mol
Molecular Formula C16H17FN4O3
Exact Mass 332.128469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H90Zzz0A9
Name 8-(4-Fluoro-phenoxy)-9-isopropyl-1,3-dimethyl-3,9-dihydro-purine-2,6-dione
Alternate Name(s) 8-(4-fluoranylphenoxy)-1,3-dimethyl-9-propan-2-yl-purine-2,6-dione 8-(4-fluorophenoxy)-1,3-dimethyl-9-propan-2-ylpurine-2,6-dione 8-(4-Fluorophenoxy)-9-isopropyl-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione 8-(4-fluorophenoxy)-9-isopropyl-1,3-dimethyl-purine-2,6-dione 8-(4-fluorophenoxy)-9-isopropyl-1,3-dimethyl-xanthine
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Formula C16H17FN4O3
InChI InChI=1S/C16H17FN4O3/c1-9(2)21-13-12(14(22)20(4)16(23)19(13)3)18-15(21)24-11-7-5-10(17)6-8-11/h5-9H,1-4H3
InChIKey JEOZYCPFSRQUMD-UHFFFAOYSA-N
Molecular Weight 332.335 g/mol
SMILES c12c(nc([n]2C(C)C)Oc2ccc(cc2)F)C(=O)N(C(N1C)=O)C
SPLASH splash10-000x-2294000000-000cf5c17e4e543db9c2
Wiley ID 1463391