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N6-Cyclooctyl-2-phenyl-9-benzyladenine
SpectraBase Compound ID LMX2MGiv1dn
InChI InChI=1S/C26H29N5/c1-2-10-16-22(17-11-3-1)28-25-23-26(30-24(29-25)21-14-8-5-9-15-21)31(19-27-23)18-20-12-6-4-7-13-20/h4-9,12-15,19,22H,1-3,10-11,16-18H2,(H,28,29,30)
InChIKey IBSCOOYAXIKQFD-UHFFFAOYSA-N
Mol Weight 411.55 g/mol
Molecular Formula C26H29N5
Exact Mass 411.242296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMkJhgQE8hk
Name N6-Cyclooctyl-2-phenyl-9-benzyladenine
Alternate Name(s) 9-Benzyl-N-cyclooctyl-2-phenyl-9H-purin-6-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29N5
InChI InChI=1S/C26H29N5/c1-2-10-16-22(17-11-3-1)28-25-23-26(30-24(29-25)21-14-8-5-9-15-21)31(19-27-23)18-20-12-6-4-7-13-20/h4-9,12-15,19,22H,1-3,10-11,16-18H2,(H,28,29,30)
InChIKey IBSCOOYAXIKQFD-UHFFFAOYSA-N
Molecular Weight 411.553 g/mol
SMILES N(c1c2c(nc(n1)-c1ccccc1)[n](cn2)Cc1ccccc1)C1CCCCCCC1
SPLASH splash10-0006-9002000000-0048786fd3760b323785
Source of Spectrum EMC-38-988-11
Wiley ID 1737102