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6-n-Decyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID Ct3Hytwz3cZ
InChI InChI=1S/C36H44N4O/c1-2-3-4-5-6-7-8-18-25-33-34-35(37-29-38(34)26-30-19-12-9-13-20-30)40(28-32-23-16-11-17-24-32)36(41)39(33)27-31-21-14-10-15-22-31/h9-17,19-24,29,33H,2-8,18,25-28H2,1H3
InChIKey XVHZEJWFNHAXHE-UHFFFAOYSA-N
Mol Weight 548.8 g/mol
Molecular Formula C36H44N4O
Exact Mass 548.351512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsrphTTxrvZ
Name 6-n-Decyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44N4O
InChI InChI=1S/C36H44N4O/c1-2-3-4-5-6-7-8-18-25-33-34-35(37-29-38(34)26-30-19-12-9-13-20-30)40(28-32-23-16-11-17-24-32)36(41)39(33)27-31-21-14-10-15-22-31/h9-17,19-24,29,33H,2-8,18,25-28H2,1H3
InChIKey XVHZEJWFNHAXHE-UHFFFAOYSA-N
Molecular Weight 548.775 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)CCCCCCCCCC)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-7000900000-89fb5334e004def5fca8
Source of Spectrum F-51-3662-7
Synonyms 1,3,7-tribenzyl-6-decyl-1,3,6,7-tetrahydro-2H-purin-2-one
Wiley ID 791419