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7-Benzyl-6-[ 3',3'-bis(ethoxycarbonyl)propyl]-7H-purine
SpectraBase Compound ID 345LjK3EXcU
InChI InChI=1S/C21H24N4O4/c1-3-28-20(26)16(21(27)29-4-2)10-11-17-18-19(23-13-22-17)24-14-25(18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey AKDQSIHQZWQWET-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C21H24N4O4
Exact Mass 396.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GH9ldfWK3kM
Name 7-Benzyl-6-[ 3',3'-bis(ethoxycarbonyl)propyl]-7H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N4O4
InChI InChI=1S/C21H24N4O4/c1-3-28-20(26)16(21(27)29-4-2)10-11-17-18-19(23-13-22-17)24-14-25(18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey AKDQSIHQZWQWET-UHFFFAOYSA-N
Molecular Weight 396.447 g/mol
SMILES c12[n](cnc2ncnc1CCC(C(=O)OCC)C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9072000000-64c45019e2e2b9c8a234
Source of Spectrum SB-51-1123-13
Synonyms Diethyl 2-[2-(7-benzyl-7H-purin-6-yl)ethyl]malonate
Wiley ID 1367413