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 Google Search
Mol Weight	687.1 g/mol
Molecular Formula	C45H70N2O3
Exact Mass	686.538644 g/mol

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SpectraBase Spectrum ID	EZkP8sF5bl7
Name	2-Methyl-5,6,7-tridecyloxybenzo[F]quinoline-10-carbonitrile
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	686.538644119 u
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
SMILES	C=1(C2=C3C(N=C(C=C3)C)=C(C=C2C=C(C1OCCCCCCCCCC)OCCCCCCCCCC)C#N)OCCCCCCCCCC