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3,4-Diethyl-3-(4'-nitrophenyl)-4-[4''-(trimethylammonio)-phenyl]hexane Iodide
SpectraBase Compound ID 75bYXb7IEq1
InChI InChI=1S/C25H37N2O2.HI/c1-8-24(9-2,20-12-16-22(17-13-20)26(28)29)25(10-3,11-4)21-14-18-23(19-15-21)27(5,6)7;/h12-19H,8-11H2,1-7H3;1H/q+1;/p-1
InChIKey LOIUMGDGHDGPFD-UHFFFAOYSA-M
Mol Weight 524.5 g/mol
Molecular Formula C25H37IN2O2
Exact Mass 524.189973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJuRLXY5nB5
Name 3,4-Diethyl-3-(4'-nitrophenyl)-4-[4''-(trimethylammonio)-phenyl]hexane Iodide
Alternate Name(s) 3,4-Diethyl-3-(4'-nitrophenyl)-4-[4''-(trimethylammonio)-phenyl]hexane iodide N,N,N-trimethyl-4-[1,1,2-triethyl-2-(4-nitrophenyl)butyl]benzenaminium iodide
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Formula C25H37IN2O2
InChI InChI=1S/C25H37N2O2.HI/c1-8-24(9-2,20-12-16-22(17-13-20)26(28)29)25(10-3,11-4)21-14-18-23(19-15-21)27(5,6)7;/h12-19H,8-11H2,1-7H3;1H/q+1;/p-1
InChIKey LOIUMGDGHDGPFD-UHFFFAOYSA-M
Molecular Weight 524.487 g/mol
SMILES [I-].c1(N(=O)=O)ccc(C(C(c2ccc([N+](C)(C)C)cc2)(CC)CC)(CC)CC)cc1
SPLASH splash10-0006-0901000000-5079d2ef3c0a68cd2ced
Source of Spectrum J-55-4557-1
Wiley ID 1402483