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Ethyl 4-[9-(Methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl]benzoate
SpectraBase Compound ID LaqamGI1Svd
InChI InChI=1S/C23H22N4O4/c1-4-31-23(28)17-7-5-15(6-8-17)19-20-22(25-13-24-19)27(14-29-2)21(26-20)16-9-11-18(30-3)12-10-16/h5-13H,4,14H2,1-3H3
InChIKey XFQMKABTBQFKNK-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C23H22N4O4
Exact Mass 418.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aQQXGavzM
Name Ethyl 4-[9-(Methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl]benzoate
Alternate Name(s) Ethyl 4-(9-(methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N4O4
InChI InChI=1S/C23H22N4O4/c1-4-31-23(28)17-7-5-15(6-8-17)19-20-22(25-13-24-19)27(14-29-2)21(26-20)16-9-11-18(30-3)12-10-16/h5-13H,4,14H2,1-3H3
InChIKey XFQMKABTBQFKNK-UHFFFAOYSA-N
Molecular Weight 418.453 g/mol
SMILES c1([n](c2c(n1)c(ncn2)-c1ccc(C(=O)OCC)cc1)COC)-c1ccc(cc1)OC
SPLASH splash10-00kr-1009500000-9e9b570b8f385dfabfbf
Source of Spectrum F4-45-3036-7d
Wiley ID 1741854