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2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHENYLPHOSPHINIC-ACID-ETHYLESTER
SpectraBase Compound ID Gz2JncrYXO1
InChI InChI=1S/C31H27FN3O6PS/c1-3-40-42(38,24-12-8-5-9-13-24)27-28(43)25(18-33)26(22-14-16-23(32)17-15-22)41-30(27)35-29(36)20(2)34-31(37)39-19-21-10-6-4-7-11-21/h4-17,20H,3,19H2,1-2H3,(H,34,37)(H,35,36)/t20-,42?/m1/s1
InChIKey QWZGPGRLICMBJG-QPOQTVOPSA-N
Mol Weight 619.6 g/mol
Molecular Formula C31H27FN3O6PS
Exact Mass 619.134222 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GiO6aQnz1t
Name 2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHENYLPHOSPHINIC-ACID-ETHYLESTER
Compound Number 13.3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27FN3O6PS
InChI InChI=1S/C31H27FN3O6PS/c1-3-40-42(38,24-12-8-5-9-13-24)27-28(43)25(18-33)26(22-14-16-23(32)17-15-22)41-30(27)35-29(36)20(2)34-31(37)39-19-21-10-6-4-7-11-21/h4-17,20H,3,19H2,1-2H3,(H,34,37)(H,35,36)/t20-,42?/m1/s1
InChIKey QWZGPGRLICMBJG-QPOQTVOPSA-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 UWRU10244