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N-{4-[N-(3-Aminopropyl)-N-tolylamino]butyl}-O,O'-di(tert-butyl)-N,N'-(propan-1,3-diyl)bis[carbamate]
SpectraBase Compound ID ERoVPkX7QJl
InChI InChI=1S/C27H48N4O6S/c1-22-12-14-23(15-13-22)38(34,35)31(21-10-16-28)20-9-8-18-30(25(33)37-27(5,6)7)19-11-17-29-24(32)36-26(2,3)4/h12-15H,8-11,16-21,28H2,1-7H3,(H,29,32)
InChIKey SSKKJELNKGGVRT-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C27H48N4O6S
Exact Mass 556.329456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID N2i0N3QPo
Name N-{4-[N-(3-Aminopropyl)-N-tolylamino]butyl}-O,O'-di(tert-butyl)-N,N'-(propan-1,3-diyl)bis[carbamate]
Alternate Name(s) N',4-Bis[(tert-butoxy)carbonyl]-9-tosylspermin tert-Butyl (4-((N-(3-aminopropyl)-4-methylphenyl)sulfonamido)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamate
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Formula C27H48N4O6S
InChI InChI=1S/C27H48N4O6S/c1-22-12-14-23(15-13-22)38(34,35)31(21-10-16-28)20-9-8-18-30(25(33)37-27(5,6)7)19-11-17-29-24(32)36-26(2,3)4/h12-15H,8-11,16-21,28H2,1-7H3,(H,29,32)
InChIKey SSKKJELNKGGVRT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19910740322
Molecular Weight 556.763 g/mol
SMILES N(C(=O)OC(C)(C)C)CCCN(CCCCN(CCCN)S(=O)(c1ccc(cc1)C)=O)C(OC(C)(C)C)=O
SPLASH splash10-053r-9110000000-880577d8460ab5b775e2
Source of Spectrum H-74-659-14
Wiley ID 1789226