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6-ETHOXY-1,3,7-TRIBENZYL-2-OXOPURINE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

6-ETHOXY-1,3,7-TRIBENZYL-2-OXOPURINE
SpectraBase Compound ID LSIxCYCW2Lk
InChI InChI=1S/C28H28N4O2/c1-2-34-27-25-26(29-21-30(25)18-22-12-6-3-7-13-22)31(19-23-14-8-4-9-15-23)28(33)32(27)20-24-16-10-5-11-17-24/h3-17,21,27H,2,18-20H2,1H3
InChIKey FJWDLHPFIZUJPP-UHFFFAOYSA-N
Mol Weight 452.56 g/mol
Molecular Formula C28H28N4O2
Exact Mass 452.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MQWTO9zA1G
Name 6-Ethoxy-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Alternate Name(s) 6-Ethoxy-1,3,7-tribenzyl-2-oxopurine 1,3,7-tribenzyl-6-ethoxy-1,3,6,7-tetrahydro-2H-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N4O2
InChI InChI=1S/C28H28N4O2/c1-2-34-27-25-26(29-21-30(25)18-22-12-6-3-7-13-22)31(19-23-14-8-4-9-15-23)28(33)32(27)20-24-16-10-5-11-17-24/h3-17,21,27H,2,18-20H2,1H3
InChIKey FJWDLHPFIZUJPP-UHFFFAOYSA-N
Molecular Weight 452.558 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)OCC)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9000600000-019f5adc2ebc4f41a89a
Source of Spectrum H1-36-235-4
Wiley ID 755115