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(R)-TERT.-BUTYL-3-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-4-[N,N-BIS-(2-CHLOROETHYL)-AMINO]-BUTYRATE
SpectraBase Compound ID IVKoSJO2KGh
InChI InChI=1S/C26H40Cl4N2O4/c1-26(2,3)36-25(34)19-23(20-31(15-11-27)16-12-28)35-24(33)6-4-5-21-7-9-22(10-8-21)32(17-13-29)18-14-30/h7-10,23H,4-6,11-20H2,1-3H3/t23-/m1/s1
InChIKey CSHKHKFFTNGCDJ-HSZRJFAPSA-N
Mol Weight 586.4 g/mol
Molecular Formula C26H40Cl4N2O4
Exact Mass 584.174219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEVXkH7DfIm
Name (R)-TERT.-BUTYL-3-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-4-[N,N-BIS-(2-CHLOROETHYL)-AMINO]-BUTYRATE
Compound Number 16E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40Cl4N2O4
InChI InChI=1S/C26H40Cl4N2O4/c1-26(2,3)36-25(34)19-23(20-31(15-11-27)16-12-28)35-24(33)6-4-5-21-7-9-22(10-8-21)32(17-13-29)18-14-30/h7-10,23H,4-6,11-20H2,1-3H3/t23-/m1/s1
InChIKey CSHKHKFFTNGCDJ-HSZRJFAPSA-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 586.427 g/mol
Sample ID 38480
Solvent CDCl3