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(R)-[2-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-3-CARBOXYPROPYL]-TRIMETHYLAMMONIUM-CHLORIDE
SpectraBase Compound ID AUIXcyor65u
InChI InChI=1S/C21H32Cl2N2O4.ClH/c1-25(2,3)16-19(15-20(26)27)29-21(28)6-4-5-17-7-9-18(10-8-17)24(13-11-22)14-12-23;/h7-10,19H,4-6,11-16H2,1-3H3;1H/t19-;/m1./s1
InChIKey MZVUJPZWOJVOAO-FSRHSHDFSA-N
Mol Weight 483.9 g/mol
Molecular Formula C21H33Cl3N2O4
Exact Mass 482.150591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35gzILNOXSb
Name (R)-[2-(4-[4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL]-BUTYRYLOXY)-3-CARBOXYPROPYL]-TRIMETHYLAMMONIUM-CHLORIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33Cl3N2O4
InChI InChI=1S/C21H32Cl2N2O4.ClH/c1-25(2,3)16-19(15-20(26)27)29-21(28)6-4-5-17-7-9-18(10-8-17)24(13-11-22)14-12-23;/h7-10,19H,4-6,11-16H2,1-3H3;1H/t19-;/m1./s1
InChIKey MZVUJPZWOJVOAO-FSRHSHDFSA-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 483.863 g/mol
Sample ID 38488
Solvent CD3OD