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9-octyl-6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine
SpectraBase Compound ID GbZTqg7ClX0
InChI InChI=1S/C26H38N6O/c1-3-5-6-7-8-9-14-32-21-29-24-25(27-20-28-26(24)32)31-17-15-30(16-18-31)22-10-12-23(13-11-22)33-19-4-2/h10-13,20-21H,3-9,14-19H2,1-2H3
InChIKey YLNGJRSGPXGRAQ-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C26H38N6O
Exact Mass 450.31071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzjR5HWZwy8
Name 9-octyl-6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38N6O
InChI InChI=1S/C26H38N6O/c1-3-5-6-7-8-9-14-32-21-29-24-25(27-20-28-26(24)32)31-17-15-30(16-18-31)22-10-12-23(13-11-22)33-19-4-2/h10-13,20-21H,3-9,14-19H2,1-2H3
InChIKey YLNGJRSGPXGRAQ-UHFFFAOYSA-N
Instrument Name SHIMADZU QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000053
Molecular Weight 450.631 g/mol
SMILES c1(ncnc2c1nc[n]2CCCCCCCC)N1CCN(CC1)c1ccc(cc1)OCCC
SPLASH splash10-0007-5930000000-b141793046e2ab71d776
Source of Spectrum CBD-17-SM18-PPC08
Wiley ID 1855950