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5-(9-benzylpurin-6-yl)-6-phenyl-indane-2,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID KoEgJlkdUHB
InChI InChI=1S/C33H30N4O4/c1-3-40-31(38)33(32(39)41-4-2)17-24-15-26(23-13-9-6-10-14-23)27(16-25(24)18-33)28-29-30(35-20-34-28)37(21-36-29)19-22-11-7-5-8-12-22/h5-16,20-21H,3-4,17-19H2,1-2H3
InChIKey SMFPKRFZULMJAN-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C33H30N4O4
Exact Mass 546.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rZRJ7J8eAn
Name 5-(9-benzylpurin-6-yl)-6-phenyl-indane-2,2-dicarboxylic acid diethyl ester
Alternate Name(s) 5-Phenyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester Diethyl 5-(9-benzylpurin-6-yl)-6-phenyl-1,3-dihydroindene-2,2-dicarboxylate Diethyl 5-(9-benzylpurin-6-yl)-6-phenyl-indane-2,2-dicarboxylate Diethyl 5-phenyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2,2-dicarboxylate
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Formula C33H30N4O4
InChI InChI=1S/C33H30N4O4/c1-3-40-31(38)33(32(39)41-4-2)17-24-15-26(23-13-9-6-10-14-23)27(16-25(24)18-33)28-29-30(35-20-34-28)37(21-36-29)19-22-11-7-5-8-12-22/h5-16,20-21H,3-4,17-19H2,1-2H3
InChIKey SMFPKRFZULMJAN-UHFFFAOYSA-N
Molecular Weight 546.627 g/mol
SMILES c1nc2c(ncnc2[n]1Cc1ccccc1)-c1cc2CC(Cc2cc1-c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9000020000-27ce72c29465e7539139
Source of Spectrum Y1-44-788-3
Wiley ID 1621294