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1,3,7-Tribenzylxanthine

View entire compound with spectra: 1 MS (GC)

1,3,7-Tribenzylxanthine
SpectraBase Compound ID 2zJQifsgBq4
InChI InChI=1S/C26H22N4O2/c31-25-23-24(27-19-28(23)16-20-10-4-1-5-11-20)29(17-21-12-6-2-7-13-21)26(32)30(25)18-22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKey IINZIKWQHUFYDS-UHFFFAOYSA-N
Mol Weight 422.49 g/mol
Molecular Formula C26H22N4O2
Exact Mass 422.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7qkRe1ecp8
Name 1,3,7-Tribenzylxanthine
Alternate Name(s) 1,3,7-tribenzylpurine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4O2
InChI InChI=1S/C26H22N4O2/c31-25-23-24(27-19-28(23)16-20-10-4-1-5-11-20)29(17-21-12-6-2-7-13-21)26(32)30(25)18-22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKey IINZIKWQHUFYDS-UHFFFAOYSA-N
Molecular Weight 422.488 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)=O)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-00di-0002900000-3eab81a19ce2d8b4e11b
Source of Spectrum F-51-3663-9
Wiley ID 791416