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N,N',N"-Trihexylbenzene-1,3,5-trimethanamine - trihydrochloride
SpectraBase Compound ID 6OqqjI1kDpk
InChI InChI=1S/C27H51N3.3ClH/c1-4-7-10-13-16-28-22-25-19-26(23-29-17-14-11-8-5-2)21-27(20-25)24-30-18-15-12-9-6-3;;;/h19-21,28-30H,4-18,22-24H2,1-3H3;3*1H
InChIKey RTFWPVQCNYHDMA-UHFFFAOYSA-N
Mol Weight 527.11 g/mol
Molecular Formula C27H54Cl3N3
Exact Mass 525.338332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEuSNBloE9Z
Name N,N',N"-Trihexylbenzene-1,3,5-trimethanamine - trihydrochloride
Alternate Name(s) ({3,5-bis[(hexylamino)methyl]phenyl}methyl)(hexyl)amine trihydrochloride
Comments Less than 3 mono-isotopic peaks
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Formula C27H54Cl3N3
InChI InChI=1S/C27H51N3.3ClH/c1-4-7-10-13-16-28-22-25-19-26(23-29-17-14-11-8-5-2)21-27(20-25)24-30-18-15-12-9-6-3;;;/h19-21,28-30H,4-18,22-24H2,1-3H3;3*1H
InChIKey RTFWPVQCNYHDMA-UHFFFAOYSA-N
Molecular Weight 527.109 g/mol
SMILES Cl.N(Cc1cc(CNCCCCCC)cc(c1)CNCCCCCC)CCCCCC.Cl.Cl
SPLASH splash10-0002-0009000000-a22ad55c20a7eb7eaa80
Source of Spectrum D8-329-158-1
Wiley ID 1516164