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(2-Aminobenzyl)-[6-[2-[2-[6-[(2-aminobenzyl)amino]hexylamino]ethyldisulfanyl]ethylamino]hexyl]amine
SpectraBase Compound ID AD08QHGBuvS
InChI InChI=1S/C30H52N6S2/c31-29-15-7-5-13-27(29)25-35-19-11-3-1-9-17-33-21-23-37-38-24-22-34-18-10-2-4-12-20-36-26-28-14-6-8-16-30(28)32/h5-8,13-16,33-36H,1-4,9-12,17-26,31-32H2
InChIKey RHBOJIWALIMQIZ-UHFFFAOYSA-N
Mol Weight 560.9 g/mol
Molecular Formula C30H52N6S2
Exact Mass 560.369488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bwwcqh64YE
Name (2-Aminobenzyl)-[6-[2-[2-[6-[(2-aminobenzyl)amino]hexylamino]ethyldisulfanyl]ethylamino]hexyl]amine
Comments Computed using HOSE algorithm
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Exact Mass 560.369488046 u
Formula C30H52N6S2
InChI InChI=1S/C30H52N6S2/c31-29-15-7-5-13-27(29)25-35-19-11-3-1-9-17-33-21-23-37-38-24-22-34-18-10-2-4-12-20-36-26-28-14-6-8-16-30(28)32/h5-8,13-16,33-36H,1-4,9-12,17-26,31-32H2
InChIKey RHBOJIWALIMQIZ-UHFFFAOYSA-N
Molecular Weight 560.908 g/mol
SMILES C=1(C(N)=CC=CC1)CNCCCCCCNCCSSCCNCCCCCCNCC=1C(N)=CC=CC1