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9-Benzyl-6-[3',3'-bis(ethoxycarbonyl)propyl]-9H-purine
SpectraBase Compound ID 4bicHPjursx
InChI InChI=1S/C21H24N4O4/c1-3-28-20(26)16(21(27)29-4-2)10-11-17-18-19(23-13-22-17)25(14-24-18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey OATAORMXAGZCDX-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 1bbfikKOH2
Name 9-Benzyl-6-[3',3'-bis(ethoxycarbonyl)propyl]-9H-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)25(14-24-18)12-15-8-6-5-7-9-15/h5-9,13-14,16H,3-4,10-12H2,1-2H3
InChIKey OATAORMXAGZCDX-UHFFFAOYSA-N
Molecular Weight 396.447 g/mol
SMILES c12[n](cnc2c(CCC(C(=O)OCC)C(=O)OCC)ncn1)Cc1ccccc1
SPLASH splash10-007c-4092000000-9173c6fad831d65297ad
Source of Spectrum SB-51-1122-10
Synonyms Diethyl 2-[2-(9-benzyl-9H-purin-6-yl)ethyl]malonate
Wiley ID 1367414