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2-Methyl-5,6,7-tridecyloxybenzo[f]quinoline-10-carbonitrile
SpectraBase Compound ID C2vcLvvGHeq
InChI InChI=1S/C45H70N2O3/c1-5-8-11-14-17-20-23-26-31-48-41-35-38-34-39(36-46)43-40(30-29-37(4)47-43)42(38)45(50-33-28-25-22-19-16-13-10-7-3)44(41)49-32-27-24-21-18-15-12-9-6-2/h29-30,34-35H,5-28,31-33H2,1-4H3
InChIKey KCJOQKVEDWJDKD-UHFFFAOYSA-N
Mol Weight 687.1 g/mol
Molecular Formula C45H70N2O3
Exact Mass 686.538644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BArqhgiKChg
Name 2-Methyl-5,6,7-tridecyloxybenzo[f]quinoline-10-carbonitrile
Alternate Name(s) 5,6,7-Tridecyloxy-2-methylbenzo[f]quinoline-10-carbonitrile 5,6,7-tris(decyloxy)-2-methylbenzo[f]quinoline-10-carbonitrile 8,9,10-Tris-decyloxy-3-methyl-benzo[f]quinoline-5-carbonitrile 8,9,10-tris-decoxy-3-methyl-5-benzo[f]quinolinecarbonitrile 8,9,10-tris-decoxy-3-methylbenzo[f]quinoline-5-carbonitrile
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Formula C45H70N2O3
InChI InChI=1S/C45H70N2O3/c1-5-8-11-14-17-20-23-26-31-48-41-35-38-34-39(36-46)43-40(30-29-37(4)47-43)42(38)45(50-33-28-25-22-19-16-13-10-7-3)44(41)49-32-27-24-21-18-15-12-9-6-2/h29-30,34-35H,5-28,31-33H2,1-4H3
InChIKey KCJOQKVEDWJDKD-UHFFFAOYSA-N
Molecular Weight 687.066 g/mol
SMILES c1(c2c3c(nc(cc3)C)c(cc2cc(c1OCCCCCCCCCC)OCCCCCCCCCC)C#N)OCCCCCCCCCC
SPLASH splash10-05n3-8040209000-eb7d3b1e8a7266384cbc
Source of Spectrum K1-2002-540-6
Wiley ID 1522060