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2,7-Dihydro-1,3,7-tribenzyl-2-oxo-1H-purinium chloride

View entire compound with spectra: 1 MS (GC)

2,7-Dihydro-1,3,7-tribenzyl-2-oxo-1H-purinium chloride
SpectraBase Compound ID 1abWToqKO0N
InChI InChI=1S/C26H23N4O.ClH/c31-26-28(16-21-10-4-1-5-11-21)19-24-25(30(26)18-23-14-8-3-9-15-23)27-20-29(24)17-22-12-6-2-7-13-22;/h1-15,19-20H,16-18H2;1H/q+1;/p-1
InChIKey KYMAMRPOLNUTHJ-UHFFFAOYSA-M
Mol Weight 442.95 g/mol
Molecular Formula C26H23ClN4O
Exact Mass 442.156039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8fUZ1t1ILF
Name 2,7-Dihydro-1,3,7-tribenzyl-2-oxo-1H-purinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23ClN4O
InChI InChI=1S/C26H23N4O.ClH/c31-26-28(16-21-10-4-1-5-11-21)19-24-25(30(26)18-23-14-8-3-9-15-23)27-20-29(24)17-22-12-6-2-7-13-22;/h1-15,19-20H,16-18H2;1H/q+1;/p-1
InChIKey KYMAMRPOLNUTHJ-UHFFFAOYSA-M
Molecular Weight 442.950 g/mol
SMILES [Cl-].c12N(C([N+](=Cc2[n](Cc2ccccc2)cn1)Cc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-0006-9112000000-0270d5d764e9c9403e48
Source of Spectrum F-51-3660-5
Wiley ID 791426