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Benzoic acid, 4-[[7-[(3,4-diethoxyphenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, ethyl ester
SpectraBase Compound ID Eg5ofrzAKJc
InChI InChI=1S/C27H30N4O7/c1-6-35-20-14-9-17(15-21(20)36-7-2)16-31-22-23(29(4)27(34)30(5)24(22)32)28-26(31)38-19-12-10-18(11-13-19)25(33)37-8-3/h9-15H,6-8,16H2,1-5H3
InChIKey HWCJIOFNIKSIDI-UHFFFAOYSA-N
Mol Weight 522.56 g/mol
Molecular Formula C27H30N4O7
Exact Mass 522.211449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYTrteGCpvT
Name Benzoic acid, 4-[[7-[(3,4-diethoxyphenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, ethyl ester
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Formula C27H30N4O7
InChI InChI=1S/C27H30N4O7/c1-6-35-20-14-9-17(15-21(20)36-7-2)16-31-22-23(29(4)27(34)30(5)24(22)32)28-26(31)38-19-12-10-18(11-13-19)25(33)37-8-3/h9-15H,6-8,16H2,1-5H3
InChIKey HWCJIOFNIKSIDI-UHFFFAOYSA-N
Molecular Weight 522.558 g/mol
SMILES C1(=O)N(c2nc(Oc3ccc(cc3)C(OCC)=O)[n](Cc3cc(c(OCC)cc3)OCC)c2C(=O)N1C)C
SPLASH splash10-00b9-3900000000-413718ea69993e7722fa
Source of Spectrum IY-1-4513-3
Synonyms 4-[[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]oxy]benzoic acid ethyl ester Ethyl 4-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzoate Ethyl 4-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]oxybenzoate Ethyl 4-[7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate
Wiley ID 1653116