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N-6-CHLORAMBUCIL-UNDECANOIC-ACID
SpectraBase Compound ID 7guN0yxLqAq
InChI InChI=1S/C25H40Cl2N2O3/c26-17-20-29(21-18-27)23-15-13-22(14-16-23)10-9-11-24(30)28-19-8-6-4-2-1-3-5-7-12-25(31)32/h13-16H,1-12,17-21H2,(H,28,30)(H,31,32)
InChIKey RKQFYXMRGJWXNX-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C25H40Cl2N2O3
Exact Mass 486.241599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRn9QAVxtLA
Name N-6-CHLORAMBUCIL-UNDECANOIC-ACID
Compound Number 14-(M=10)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40Cl2N2O3
InChI InChI=1S/C25H40Cl2N2O3/c26-17-20-29(21-18-27)23-15-13-22(14-16-23)10-9-11-24(30)28-19-8-6-4-2-1-3-5-7-12-25(31)32/h13-16H,1-12,17-21H2,(H,28,30)(H,31,32)
InChIKey RKQFYXMRGJWXNX-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 487.510 g/mol
Sample ID 70577
Solvent ACETONE-D6