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(E)-8-[3-(tert-Butyl)hept-1-en-1-yl]-6,9-diphenyl-9H-purine
SpectraBase Compound ID DSTyg3AKA8J
InChI InChI=1S/C28H32N4/c1-5-6-15-22(28(2,3)4)18-19-24-31-26-25(21-13-9-7-10-14-21)29-20-30-27(26)32(24)23-16-11-8-12-17-23/h7-14,16-20,22H,5-6,15H2,1-4H3/b19-18+
InChIKey ZDTKYSNFSIHTKM-VHEBQXMUSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H32N4
Exact Mass 424.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRe9KFpN3mC
Name (E)-8-[3-(tert-Butyl)hept-1-en-1-yl]-6,9-diphenyl-9H-purine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.262697046 u
Formula C28H32N4
InChI InChI=1S/C28H32N4/c1-5-6-15-22(28(2,3)4)18-19-24-31-26-25(21-13-9-7-10-14-21)29-20-30-27(26)32(24)23-16-11-8-12-17-23/h7-14,16-20,22H,5-6,15H2,1-4H3/b19-18+
InChIKey ZDTKYSNFSIHTKM-VHEBQXMUSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709087
Molecular Weight 424.592 g/mol
Reported Formula C28H32N4
SMILES C(C)(C)(C)C(CCCC)\C=C\C1=NC=2C(=NC=NC2N1C=1C=CC=CC1)C1=CC=CC=C1
SPLASH splash10-00or-0029200000-a95c1e5d2b075d69ef11
Source of Spectrum ACI-56-SM23-4ja (DOI: 10.1002/anie.201709087)
Wiley ID 1896628