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8-(4-Chloranyl-2-cyclohexyl-phenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione
SpectraBase Compound ID FTTg679Vj8e
InChI InChI=1S/C30H35ClN4O5/c1-5-38-24-14-12-19(16-25(24)39-6-2)18-35-26-27(33(3)30(37)34(4)28(26)36)32-29(35)40-23-15-13-21(31)17-22(23)20-10-8-7-9-11-20/h12-17,20H,5-11,18H2,1-4H3
InChIKey QYKPXDWYCZEVHP-UHFFFAOYSA-N
Mol Weight 567.1 g/mol
Molecular Formula C30H35ClN4O5
Exact Mass 566.229598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QS3HoP8zZt
Name 8-(4-Chloranyl-2-cyclohexyl-phenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione
Alternate Name(s) 8-(4-Chloro-2-cyclohexyl-phenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-xanthine 8-(4-Chloro-2-cyclohexyl-phenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(4-Chloro-2-cyclohexylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C30H35ClN4O5
InChI InChI=1S/C30H35ClN4O5/c1-5-38-24-14-12-19(16-25(24)39-6-2)18-35-26-27(33(3)30(37)34(4)28(26)36)32-29(35)40-23-15-13-21(31)17-22(23)20-10-8-7-9-11-20/h12-17,20H,5-11,18H2,1-4H3
InChIKey QYKPXDWYCZEVHP-UHFFFAOYSA-N
Molecular Weight 567.086 g/mol
SMILES c12c([n](Cc3cc(OCC)c(cc3)OCC)c(n1)Oc1c(cc(cc1)Cl)C1CCCCC1)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-1900000000-afd314701a2691483e29
Wiley ID 1444663