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(E)-8-[3-(tert-Butyl)hept-2-en-1-yl]-6,9-diphenyl-9H-purine
SpectraBase Compound ID GSvr54of2fg
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/h7-14,16-18,20H,5-6,15,19H2,1-4H3/b22-18+
InChIKey HUCUBXAOOVGSQU-RELWKKBWSA-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 DfbZLzlqCyR
Name (E)-8-[3-(tert-Butyl)hept-2-en-1-yl]-6,9-diphenyl-9H-purine
Appearance Pale yellow solid
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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/h7-14,16-18,20H,5-6,15,19H2,1-4H3/b22-18+
InChIKey HUCUBXAOOVGSQU-RELWKKBWSA-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\CC=1N(C2=C(N1)C(=NC=N2)C1=CC=CC=C1)C1=CC=CC=C1)CCCC)(C)(C)C
SPLASH splash10-0639-0026900000-cd85d3ac5331571e7d40
Source of Spectrum ACI-56-SM9-3ja (DOI: 10.1002/anie.201709087)
Wiley ID 1896613