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1,4-Benzenediol, 2,5-bis[(methylamino)methyl]-3,6-dioctyl-
SpectraBase Compound ID 2DNsXCn8E6x
InChI InChI=1S/C26H48N2O2/c1-5-7-9-11-13-15-17-21-23(19-27-3)26(30)22(24(20-28-4)25(21)29)18-16-14-12-10-8-6-2/h27-30H,5-20H2,1-4H3
InChIKey IKRFITZGXCASLY-UHFFFAOYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C26H48N2O2
Exact Mass 420.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xGnsTdlCWV
Name 1,4-Benzenediol, 2,5-bis[(methylamino)methyl]-3,6-dioctyl-
Alternate Name(s) 2,5-Bis((methylamino)methyl)-3,6-dioctylbenzene-1,4-diol 2,5-Bis[(methylamino)methyl]-3,6-dioctylbenzene-1,4-diol 2,5-Bis(methylaminomethyl)-3,6-dioctylbenzene-1,4-diol 2,5-Bis(methylaminomethyl)-3,6-dioctyl-benzene-1,4-diol
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Formula C26H48N2O2
InChI InChI=1S/C26H48N2O2/c1-5-7-9-11-13-15-17-21-23(19-27-3)26(30)22(24(20-28-4)25(21)29)18-16-14-12-10-8-6-2/h27-30H,5-20H2,1-4H3
InChIKey IKRFITZGXCASLY-UHFFFAOYSA-N
Molecular Weight 420.682 g/mol
SMILES Oc1c(c(CNC)c(c(c1CNC)CCCCCCCC)O)CCCCCCCC
SPLASH splash10-0bti-3579100000-3fef6cd658b952ce39d1
Source of Spectrum JX-2015-4-274
Wiley ID 1725722