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DHSI-15;N,N'-BIS-[3,5-BIS-[1-(AMINOIMINOMETHYL)-HYDRAZOETHYL]-PHENYL-DODECANEDIAMIDE-TETRAHYDROCHLORIDE
SpectraBase Compound ID Dya1Z9EPqPq
InChI InChI=1S/C44H72N18O2.4ClH/c1-29(55-59-41(45)46)33-23-34(30(2)56-60-42(47)48)26-37(25-33)53-39(63)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(64)54-38-27-35(31(3)57-61-43(49)50)24-36(28-38)32(4)58-62-44(51)52;;;;/h23-28H,5-22H2,1-4H3,(H,53,63)(H,54,64)(H4,45,46,59)(H4,47,48,60)(H4,49,50,61)(H4,51,52,62);4*1H/b55-29-,56-30+,57-31-,58-32+;;;;
InChIKey IXHMHYOHJPVENG-QKXVBFRQSA-N
Mol Weight 1031.03 g/mol
Molecular Formula C44H76Cl4N18O2
Exact Mass 1028.515275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CI7FKmtqio
Name DHSI-15;N,N'-BIS-[3,5-BIS-[1-(AMINOIMINOMETHYL)-HYDRAZOETHYL]-PHENYL-DODECANEDIAMIDE-TETRAHYDROCHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H76Cl4N18O2
InChI InChI=1S/C44H72N18O2.4ClH/c1-29(55-59-41(45)46)33-23-34(30(2)56-60-42(47)48)26-37(25-33)53-39(63)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(64)54-38-27-35(31(3)57-61-43(49)50)24-36(28-38)32(4)58-62-44(51)52;;;;/h23-28H,5-22H2,1-4H3,(H,53,63)(H,54,64)(H4,45,46,59)(H4,47,48,60)(H4,49,50,61)(H4,51,52,62);4*1H/b55-29-,56-30+,57-31-,58-32+;;;;
InChIKey IXHMHYOHJPVENG-QKXVBFRQSA-N
Literature Reference Author P.ZIEGLER,T.CHAHOUND,T.WILHELM,N.PAELLMAN,M.BRAIG,V.WIEHLE,S .ZIEGLER,M.SCHROEDER
Literature Reference Citation INV.NEW.DRUGS,30,2274(2012)
Literature Reference DOI 10.1007/s10637-012-9810-1
Molecular Weight 1031.019 g/mol
Source File Reference UWIR6420