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7-(2-Chlorobenzyl)-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 MS (GC)

7-(2-Chlorobenzyl)-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6COURp3qwsQ
InChI InChI=1S/C26H27ClN4O3/c1-29-23-22(24(32)30(2)26(29)33)31(16-19-10-6-7-11-21(19)27)25(28-23)34-20-14-12-18(13-15-20)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3
InChIKey JNTVXOYUZFKDCA-UHFFFAOYSA-N
Mol Weight 478.98 g/mol
Molecular Formula C26H27ClN4O3
Exact Mass 478.177168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Srz4CYgBUb
Name 7-(2-Chlorobenzyl)-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-(2-Chlorobenzyl)-8-(4-cyclohexylphenoxy)-1,3-dimethyl-xanthine 7-[(2-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-purine-2,6-dione
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Formula C26H27ClN4O3
InChI InChI=1S/C26H27ClN4O3/c1-29-23-22(24(32)30(2)26(29)33)31(16-19-10-6-7-11-21(19)27)25(28-23)34-20-14-12-18(13-15-20)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3
InChIKey JNTVXOYUZFKDCA-UHFFFAOYSA-N
Molecular Weight 478.980 g/mol
SMILES C1C(CCCC1)c1ccc(Oc2nc3c([n]2Cc2ccccc2Cl)C(=O)N(C(=O)N3C)C)cc1
SPLASH splash10-0059-7980500000-c0e2a7d8a8710f3ee811
Wiley ID 1512169