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N-CHLORAMBUCIL-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
SpectraBase Compound ID 5JPL4H9vGp
InChI InChI=1S/C29H33Cl2N3O4/c30-16-18-34(19-17-31)23-12-8-21(9-13-23)4-3-7-28(37)32-26(20-22-10-14-24(35)15-11-22)29(38)33-25-5-1-2-6-27(25)36/h1-2,5-6,8-15,26,35-36H,3-4,7,16-20H2,(H,32,37)(H,33,38)/t26-/m0/s1
InChIKey MJNBQKRNQHOOMV-SANMLTNESA-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 9CoBfPWYWL5
Name N-CHLORAMBUCIL-ORTHO-HYDROXYPHENYL-L-PARA-TYROSINAMIDE
Compound Number 5-(MADE-WITH-ORTHO-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)23-12-8-21(9-13-23)4-3-7-28(37)32-26(20-22-10-14-24(35)15-11-22)29(38)33-25-5-1-2-6-27(25)36/h1-2,5-6,8-15,26,35-36H,3-4,7,16-20H2,(H,32,37)(H,33,38)/t26-/m0/s1
InChIKey MJNBQKRNQHOOMV-SANMLTNESA-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 70569
Solvent ACETONE-D6