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N-6-CHLORAMBUCIL-HEXANOIC-ACID
SpectraBase Compound ID 8nVoAn5PSyI
InChI InChI=1S/C20H30Cl2N2O3/c21-12-15-24(16-13-22)18-10-8-17(9-11-18)5-4-6-19(25)23-14-3-1-2-7-20(26)27/h8-11H,1-7,12-16H2,(H,23,25)(H,26,27)
InChIKey GNWVFIQUNVSRNT-UHFFFAOYSA-N
Mol Weight 417.38 g/mol
Molecular Formula C20H30Cl2N2O3
Exact Mass 416.163348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aUNBFQZ1QL
Name N-6-CHLORAMBUCIL-HEXANOIC-ACID
Compound Number 14-(M=5)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30Cl2N2O3
InChI InChI=1S/C20H30Cl2N2O3/c21-12-15-24(16-13-22)18-10-8-17(9-11-18)5-4-6-19(25)23-14-3-1-2-7-20(26)27/h8-11H,1-7,12-16H2,(H,23,25)(H,26,27)
InChIKey GNWVFIQUNVSRNT-UHFFFAOYSA-N
Literature Reference Author C.DESCOTEAUX,K.BRASSEUR,V.LEBLANC,S.PARENT,E.ASSELIN,G.BERUB E
Literature Reference Citation STEROIDS,77,403(2012)
Literature Reference DOI 10.1016/j.steroids.2011.12.021
Molecular Weight 417.376 g/mol
Sample ID 70576
Solvent ACETONE-D6