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(E)-9-n-Butyl-8-[3-(tert-butyl)hept-1-en-1-yl]-6-(4-methoxyphenyl)-9H-purine
SpectraBase Compound ID IrLK4d3dTmU
InChI InChI=1S/C27H38N4O/c1-7-9-11-21(27(3,4)5)14-17-23-30-25-24(20-12-15-22(32-6)16-13-20)28-19-29-26(25)31(23)18-10-8-2/h12-17,19,21H,7-11,18H2,1-6H3/b17-14+
InChIKey YAGZIPQOWDNDJA-SAPNQHFASA-N
Mol Weight 434.6 g/mol
Molecular Formula C27H38N4O
Exact Mass 434.304562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a96GjUASm
Name (E)-9-n-Butyl-8-[3-(tert-butyl)hept-1-en-1-yl]-6-(4-methoxyphenyl)-9H-purine
Appearance Colorless oil
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Exact Mass 434.304561859 u
Formula C27H38N4O
InChI InChI=1S/C27H38N4O/c1-7-9-11-21(27(3,4)5)14-17-23-30-25-24(20-12-15-22(32-6)16-13-20)28-19-29-26(25)31(23)18-10-8-2/h12-17,19,21H,7-11,18H2,1-6H3/b17-14+
InChIKey YAGZIPQOWDNDJA-SAPNQHFASA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709087
Molecular Weight 434.628 g/mol
Reported Formula C27H38N4O
SMILES C(C)(C)(C)C(CCCC)\C=C\C1=NC=2C(=NC=NC2N1CCCC)C1=CC=C(C=C1)OC
SPLASH splash10-003i-0039200000-321c3fc6945352fdae73
Source of Spectrum ACI-56-SM25-4ma (DOI: 10.1002/anie.201709087)
Wiley ID 1896630