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N6-Cyclobutyl-2-phenyl-9-benzyladenine
SpectraBase Compound ID 9Plk8DCXn4X
InChI InChI=1S/C22H21N5/c1-3-8-16(9-4-1)14-27-15-23-19-21(24-18-12-7-13-18)25-20(26-22(19)27)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)
InChIKey LDKMQHUUJORBTD-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C22H21N5
Exact Mass 355.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6RandJayx4
Name N6-Cyclobutyl-2-phenyl-9-benzyladenine
Alternate Name(s) 9-Benzyl-N-cyclobutyl-2-phenyl-9H-purin-6-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5
InChI InChI=1S/C22H21N5/c1-3-8-16(9-4-1)14-27-15-23-19-21(24-18-12-7-13-18)25-20(26-22(19)27)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)
InChIKey LDKMQHUUJORBTD-UHFFFAOYSA-N
Molecular Weight 355.445 g/mol
SMILES N(c1c2c(nc(n1)-c1ccccc1)[n](cn2)Cc1ccccc1)C1CCC1
SPLASH splash10-0006-9000000000-d030e65af7e3f535bf3b
Source of Spectrum EMC-38-988-6
Wiley ID 1737105