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2,5-Bis((methylamino)methyl)-3,6-dioctylcyclohexa-2,5-diene-1,4-dione dihydrochloride
SpectraBase Compound ID FVFSIsOBa1u
InChI InChI=1S/C26H46N2O2.2Cl/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;;/h27-28H,5-20H2,1-4H3;;
InChIKey LQEDOJMOTXETEZ-UHFFFAOYSA-N
Mol Weight 489.57 g/mol
Molecular Formula C26H46Cl2N2O2
Exact Mass 488.293634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bdRbugP2jN
Name 2,5-Bis((methylamino)methyl)-3,6-dioctylcyclohexa-2,5-diene-1,4-dione dihydrochloride
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Formula C26H48Cl2N2O2
InChI InChI=1S/C26H46N2O2.2Cl/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;;/h27-28H,5-20H2,1-4H3;;
InChIKey LQEDOJMOTXETEZ-UHFFFAOYSA-N
Molecular Weight 491.588 g/mol
SMILES N(CC=1C(C(=C(CNC)C(C1CCCCCCCC)=O)CCCCCCCC)=O)C.Cl.Cl
SPLASH splash10-01r6-9653000000-32a069bfaa46e950768d
Source of Spectrum JX-2015-4-898
Wiley ID 1726310