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9-Benzyl-6-[3'-acetyl-3'-ethoxycarbonylpropyl]-9H-purine
SpectraBase Compound ID GaJ9IgCSCpR
InChI InChI=1S/C20H22N4O3/c1-3-27-20(26)16(14(2)25)9-10-17-18-19(22-12-21-17)24(13-23-18)11-15-7-5-4-6-8-15/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKey BRLFVJKUAWNQKX-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C20H22N4O3
Exact Mass 366.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F25TYCg3MzA
Name 9-Benzyl-6-[3'-acetyl-3'-ethoxycarbonylpropyl]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O3
InChI InChI=1S/C20H22N4O3/c1-3-27-20(26)16(14(2)25)9-10-17-18-19(22-12-21-17)24(13-23-18)11-15-7-5-4-6-8-15/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKey BRLFVJKUAWNQKX-UHFFFAOYSA-N
Molecular Weight 366.421 g/mol
SMILES c12[n](cnc2c(CCC(C(=O)OCC)C(=O)C)ncn1)Cc1ccccc1
SPLASH splash10-006x-9071000000-4855e3a8cd31aabe4f54
Source of Spectrum SB-51-1122-10
Synonyms Ethyl 2-[2-(9-benzyl-9H-purin-6-yl)ethyl]-3-oxobutanoate
Wiley ID 1351934