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(2-ALPHA,4-ALPHA,5-BETA)-(+/-)-PHENYLMETHYL-4-CYANO-2-DIPHENYLPHOSPHINOYL)-5-PHENYL-2-PYRROLIDINE-CARBOXYLATE
SpectraBase Compound ID 8o7mUTtbso9
InChI InChI=1S/C31H27N2O3P/c32-22-26-21-31(33-29(26)25-15-7-2-8-16-25,30(34)36-23-24-13-5-1-6-14-24)37(35,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,26,29,33H,21,23H2/t26-,29-,31-/m0/s1
InChIKey XSFXJYRZOOMWNA-CRFLUJQRSA-N
Mol Weight 506.54 g/mol
Molecular Formula C31H27N2O3P
Exact Mass 506.17593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xf7ggtrOE1
Name DL-Proline, 4-cyano-2-(diphenylphosphinyl)-5-phenyl-, phenylmethyl ester, (2.alpha.,4.beta.,5.beta.)-
CAS Registry Number 127183-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N2O3P
InChI InChI=1S/C31H27N2O3P/c32-22-26-21-31(33-29(26)25-15-7-2-8-16-25,30(34)36-23-24-13-5-1-6-14-24)37(35,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,26,29,33H,21,23H2/t26-,29-,31-/m0/s1
InChIKey XSFXJYRZOOMWNA-CRFLUJQRSA-N
Molecular Weight 506.542 g/mol
SMILES N1[C@]([C@@](C[C@]1(P(=O)(c1ccccc1)c1ccccc1)C(OCc1ccccc1)=O)(C#N)[H])(c1ccccc1)[H]
SPLASH splash10-0f6x-9030000000-8d3051a9d6906a543e60
Source of Spectrum J-55-4078-15
Synonyms (2.alpha.,4.beta.,5.beta.)-(+-)-Phenylmethyl 4-cyano-2-(di-phenylphosphinoyl)-5-phenyl-2-pyrrolidinecarboxylate benzyl (2S,4R,5R)-4-cyano-2-(diphenylphosphoryl)-5-phenyl-2-pyrrolidinecarboxylate
Wiley ID 1399919