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(R)-3-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-4-[N,N-BIS-(2-CHLOROETHYL)-AMINO]-BUTYRIC-ACID

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(R)-3-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-4-[N,N-BIS-(2-CHLOROETHYL)-AMINO]-BUTYRIC-ACID
SpectraBase Compound ID LPZC3kFKYop
InChI InChI=1S/C22H32Cl4N2O4/c23-8-12-27(13-9-24)17-20(16-21(29)30)32-22(31)3-1-2-18-4-6-19(7-5-18)28(14-10-25)15-11-26/h4-7,20H,1-3,8-17H2,(H,29,30)/t20-/m1/s1
InChIKey FWVFIJHDYHPJHK-HXUWFJFHSA-N
Mol Weight 530.3 g/mol
Molecular Formula C22H32Cl4N2O4
Exact Mass 528.111618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZRQvqcorQt
Name (R)-3-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-4-[N,N-BIS-(2-CHLOROETHYL)-AMINO]-BUTYRIC-ACID
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32Cl4N2O4
InChI InChI=1S/C22H32Cl4N2O4/c23-8-12-27(13-9-24)17-20(16-21(29)30)32-22(31)3-1-2-18-4-6-19(7-5-18)28(14-10-25)15-11-26/h4-7,20H,1-3,8-17H2,(H,29,30)/t20-/m1/s1
InChIKey FWVFIJHDYHPJHK-HXUWFJFHSA-N
Literature Reference Author L.FAISSAT,K.MARTIN,C.CHAVIS,J.L.MONTERO,M.LUCAS
Literature Reference Citation BIOORG.MED.CHEM.,11,325(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00458-3
Molecular Weight 530.319 g/mol
Sample ID 38486
Solvent CDCl3