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(2S,4R,5R)-4-cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,4R,5R)-4-cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
SpectraBase Compound ID I0FPep1OIkZ
InChI InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)12(15-11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3/t10-,11-,12-/m0/s1
InChIKey XJYOFMULFRBUDM-SRVKXCTJSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CibR5txnVRm
Name (2S,4R,5R)-4-cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
Alternate Name(s) (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidine-2-carboxylic acid methyl ester Methyl (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidine-2-carboxylate
CAS Registry Number 113273-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)12(15-11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3/t10-,11-,12-/m0/s1
InChIKey XJYOFMULFRBUDM-SRVKXCTJSA-N
Molecular Weight 230.267 g/mol
SMILES N1[C@@](C[C@]([C@@]1(c1ccccc1)[H])(C#N)[H])(C(=O)OC)[H]
SPLASH splash10-00xr-1900000000-a6878e19f60e65d6c6cd
Source of Spectrum J-53-1389-2
Wiley ID 1231810