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3-Pyrrolidinecarboxylic acid, 5-cyano-3-methyl-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID Fa7Mkzp1OB8
InChI InChI=1S/C14H16N2O2/c1-14(13(17)18-2)8-11(9-15)16-12(14)10-6-4-3-5-7-10/h3-7,11-12,16H,8H2,1-2H3/t11-,12-,14+/m0/s1
InChIKey UJWWXWZLZIVCNY-SGMGOOAPSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b6rKDlDD2h
Name 3-Pyrrolidinecarboxylic acid, 5-cyano-3-methyl-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-
Alternate Name(s) 4-Methoxycarbonyl-2-cyano-4-methyl-5-phenylpyrrolidine Methyl (2S,3R,5S)-5-cyano-3-methyl-2-phenyl-3-pyrrolidinecarboxylate
CAS Registry Number 113298-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-14(13(17)18-2)8-11(9-15)16-12(14)10-6-4-3-5-7-10/h3-7,11-12,16H,8H2,1-2H3/t11-,12-,14+/m0/s1
InChIKey UJWWXWZLZIVCNY-SGMGOOAPSA-N
Molecular Weight 244.294 g/mol
SMILES N1[C@@](C[C@]([C@@]1(c1ccccc1)[H])(C(=O)OC)C)(C#N)[H]
SPLASH splash10-0006-0900000000-00b20b116ed1c487d54a
Source of Spectrum AJ-60-3365-3
Wiley ID 1247166