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2-Acetyl-5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylic acid ethyl ester
SpectraBase Compound ID BhPpioWvMb7
InChI InChI=1S/C23H26N4O3/c1-4-6-7-15-8-16-10-23(14(3)28,22(29)30-5-2)11-17(16)9-18(15)19-20-21(26-12-24-19)27-13-25-20/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,24,25,26,27)
InChIKey FMNYCPFDFWMIIL-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C23H26N4O3
Exact Mass 406.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8P4dc3NHmH
Name 2-Acetyl-5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N4O3
InChI InChI=1S/C23H26N4O3/c1-4-6-7-15-8-16-10-23(14(3)28,22(29)30-5-2)11-17(16)9-18(15)19-20-21(26-12-24-19)27-13-25-20/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,24,25,26,27)
InChIKey FMNYCPFDFWMIIL-UHFFFAOYSA-N
Molecular Weight 406.486 g/mol
SMILES [nH]1cnc2c1ncnc2-c1cc2CC(Cc2cc1CCCC)(C(=O)OCC)C(=O)C
SPLASH splash10-0a6r-5019500000-2a4f2c45ff1e7a6bf2f8
Source of Spectrum F-69-9232-3
Synonyms 2-Acetyl-5-butyl-6-(7H-purin-6-yl)indane-2-carboxylic acid ethyl ester Ethyl 2-acetyl-5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate Ethyl 2-acetyl-5-butyl-6-(7H-purin-6-yl)indane-2-carboxylate Ethyl 5-butyl-2-ethanoyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate
Wiley ID 1596017