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7-[(2'E,6'E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,6-dienyl]-3-methyl-2,3-dihydro-1H-purin-6(7H)-imine
SpectraBase Compound ID Eud5Hvx4JYL
InChI InChI=1S/C26H41N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-29-25-23(31)24(27)28-17-30(25)6/h9,14,18H,7-8,10-13,15-17H2,1-6H3,(H2,27,28)/b19-9+,20-14+
InChIKey ULSWTZIOFXFMIV-KYRQBFFOSA-N
Mol Weight 423.6 g/mol
Molecular Formula C26H41N5
Exact Mass 423.336196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JBZuujJp2
Name 7-[(2'E,6'E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,6-dienyl]-3-methyl-2,3-dihydro-1H-purin-6(7H)-imine
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Formula C26H41N5
InChI InChI=1S/C26H41N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-29-25-23(31)24(27)28-17-30(25)6/h9,14,18H,7-8,10-13,15-17H2,1-6H3,(H2,27,28)/b19-9+,20-14+
InChIKey ULSWTZIOFXFMIV-KYRQBFFOSA-N
Literature Reference DOI 10.1002/ardp.200700137
Molecular Weight 423.649 g/mol
SMILES N1C(c2[n](cnc2N(C1)C)C\C=C\(CC\C=C\(CCC1=C(CCCC1(C)C)C)C)C)=N
SPLASH splash10-00y1-2920000000-81b8930ae71d91ecbed0
Source of Spectrum APC-340-632-18
Synonyms 7-((2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,6-dien-1-yl)-3-methyl-2,3-dihydro-1H-purin-6(7H)-imine 7-[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-3-methyl-2H-purin-6-amine 7-[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-3-methyl-2H-purin-6-amine
Wiley ID 1768790