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N-CHLORAMBUCIL-PARA-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
SpectraBase Compound ID 7yKg4wx8eX
InChI InChI=1S/C29H33Cl2N3O4/c30-16-18-34(19-17-31)24-10-4-21(5-11-24)2-1-3-28(37)33-27(20-22-6-12-25(35)13-7-22)29(38)32-23-8-14-26(36)15-9-23/h4-15,27,35-36H,1-3,16-20H2,(H,32,38)(H,33,37)/t27-/m0/s1
InChIKey XDYCUSGNDOOBMP-MHZLTWQESA-N
Mol Weight 558.5 g/mol
Molecular Formula C29H33Cl2N3O4
Exact Mass 557.184812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92ArweGa791
Name N-CHLORAMBUCIL-PARA-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
Compound Number 5-(MADE-WITH-PARA-HYDROXYANILINE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33Cl2N3O4
InChI InChI=1S/C29H33Cl2N3O4/c30-16-18-34(19-17-31)24-10-4-21(5-11-24)2-1-3-28(37)33-27(20-22-6-12-25(35)13-7-22)29(38)32-23-8-14-26(36)15-9-23/h4-15,27,35-36H,1-3,16-20H2,(H,32,38)(H,33,37)/t27-/m0/s1
InChIKey XDYCUSGNDOOBMP-MHZLTWQESA-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 558.505 g/mol
Sample ID 70567
Solvent ACETONE-D6