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2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIMETHYLESTER

View entire compound with spectra: 2 NMR

2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 7dHfG7k7G7t
InChI InChI=1S/C25H23ClN3O7PS/c1-15(28-25(31)35-14-16-7-5-4-6-8-16)23(30)29-24-21(37(32,33-2)34-3)22(38)19(13-27)20(36-24)17-9-11-18(26)12-10-17/h4-12,15H,14H2,1-3H3,(H,28,31)(H,29,30)/t15-/m1/s1
InChIKey WAVGDRIBCGBLCQ-OAHLLOKOSA-N
Mol Weight 575.96 g/mol
Molecular Formula C25H23ClN3O7PS
Exact Mass 575.068286 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51R2o0uzEaA
Name 2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIMETHYLESTER
Compound Number 12.2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23ClN3O7PS
InChI InChI=1S/C25H23ClN3O7PS/c1-15(28-25(31)35-14-16-7-5-4-6-8-16)23(30)29-24-21(37(32,33-2)34-3)22(38)19(13-27)20(36-24)17-9-11-18(26)12-10-17/h4-12,15H,14H2,1-3H3,(H,28,31)(H,29,30)/t15-/m1/s1
InChIKey WAVGDRIBCGBLCQ-OAHLLOKOSA-N
Literature Reference Author D.U.HAHN,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,50,1041(1999)
Literature Reference DOI 10.3987/COM-98-S(H)108
Solvent CDCl3
Source File Reference UWRU10237