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[3-[(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTANOYL)-AMINO]-PROPYL]-TRIMETHYL-AMMONIUM-IODIDE

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[3-[(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTANOYL)-AMINO]-PROPYL]-TRIMETHYL-AMMONIUM-IODIDE
SpectraBase Compound ID 1vbmbIEL6h0
InChI InChI=1S/C20H33Cl2N3O.HI/c1-25(2,3)17-5-14-23-20(26)7-4-6-18-8-10-19(11-9-18)24(15-12-21)16-13-22;/h8-11H,4-7,12-17H2,1-3H3;1H
InChIKey FLTLOKQLJKHDBO-UHFFFAOYSA-N
Mol Weight 530.3 g/mol
Molecular Formula C20H34Cl2IN3O
Exact Mass 529.112363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NOgHiGJiw1
Name [3-[(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTANOYL)-AMINO]-PROPYL]-TRIMETHYL-AMMONIUM-IODIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34Cl2IN3O
InChI InChI=1S/C20H33Cl2N3O.HI/c1-25(2,3)17-5-14-23-20(26)7-4-6-18-8-10-19(11-9-18)24(15-12-21)16-13-22;/h8-11H,4-7,12-17H2,1-3H3;1H
InChIKey FLTLOKQLJKHDBO-UHFFFAOYSA-N
Literature Reference Author I.GIRAUD,M.RAPP,J.C.MAURIZIS,J.C.MADELMONT
Literature Reference Citation J.MED.CHEM.,45,2116(2002)
Literature Reference DOI 10.1021/jm010926x
Molecular Weight 530.320 g/mol
Sample ID 64373
Solvent CDCl3