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5-Butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

5-Butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID K4CcrDBeS4A
InChI InChI=1S/C24H28N4O4/c1-4-7-8-15-9-16-11-24(22(29)31-5-2,23(30)32-6-3)12-17(16)10-18(15)19-20-21(27-13-25-19)28-14-26-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26,27,28)
InChIKey UMGNWEMFFSLLMV-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C24H28N4O4
Exact Mass 436.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRWu7rJzqqI
Name 5-Butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4O4
InChI InChI=1S/C24H28N4O4/c1-4-7-8-15-9-16-11-24(22(29)31-5-2,23(30)32-6-3)12-17(16)10-18(15)19-20-21(27-13-25-19)28-14-26-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26,27,28)
InChIKey UMGNWEMFFSLLMV-UHFFFAOYSA-N
Molecular Weight 436.512 g/mol
SMILES [nH]1cnc2c1ncnc2-c1cc2CC(Cc2cc1CCCC)(C(=O)OCC)C(=O)OCC
SPLASH splash10-001i-9000200000-5d67fccfb2b64a8775d0
Source of Spectrum F-69-9232-3
Synonyms 5-Butyl-6-(7H-purin-6-yl)indane-2,2-dicarboxylic acid diethyl ester Diethyl 5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylate Diethyl 5-butyl-6-(7H-purin-6-yl)indane-2,2-dicarboxylate
Wiley ID 1596018