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7-(3-Chlorobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine
SpectraBase Compound ID HpPmcLXcvHU
InChI InChI=1S/C26H26Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-7-6-10-18(27)13-16)25(29-23)35-21-12-11-19(28)14-20(21)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3
InChIKey BPYYCTXRVDMPHS-UHFFFAOYSA-N
Mol Weight 513.43 g/mol
Molecular Formula C26H26Cl2N4O3
Exact Mass 512.138196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18O5VuNzhik
Name 7-(3-Chlorobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine
Alternate Name(s) 7-(3-Chlorobenzyl)-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-(4-Chloranyl-2-cyclohexyl-phenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(4-Chloro-2-cyclohexyl-phenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
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Formula C26H26Cl2N4O3
InChI InChI=1S/C26H26Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-7-6-10-18(27)13-16)25(29-23)35-21-12-11-19(28)14-20(21)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3
InChIKey BPYYCTXRVDMPHS-UHFFFAOYSA-N
Molecular Weight 513.425 g/mol
SMILES c12c([n](Cc3cc(Cl)ccc3)c(n1)Oc1c(cc(cc1)Cl)C1CCCCC1)C(=O)N(C(N2C)=O)C
SPLASH splash10-01t9-2922030000-85980dad384d56781f58
Wiley ID 1462705