For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
DL-Proline, 4-cyano-2-(1-methylethyl)-5-phenyl-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID 5mQXeLBHah3
InChI InChI=1S/C16H20N2O2/c1-11(2)16(15(19)20-3)9-13(10-17)14(18-16)12-7-5-4-6-8-12/h4-8,11,13-14,18H,9H2,1-3H3/t13-,14-,16+/m0/s1
InChIKey IOYRSVJZWHIPDL-OFQRWUPVSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LptwsdbRBK8
Name DL-Proline, 4-cyano-2-(1-methylethyl)-5-phenyl-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-
CAS Registry Number 120055-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-11(2)16(15(19)20-3)9-13(10-17)14(18-16)12-7-5-4-6-8-12/h4-8,11,13-14,18H,9H2,1-3H3/t13-,14-,16+/m0/s1
InChIKey IOYRSVJZWHIPDL-OFQRWUPVSA-N
Molecular Weight 272.348 g/mol
SMILES N1[C@]([C@@](C[C@]1(C(=O)OC)C(C)C)(C#N)[H])(c1ccccc1)[H]
SPLASH splash10-03di-0090000000-6c753867b5b583c52797
Source of Spectrum F-44-5373-0
Synonyms Methyl (2R,4R,5R)-4-cyano-2-isopropyl-5-phenyl-2-pyrrolidinecarboxylate Methyl 2-isopropyl-t-4-cyano-c-5-phenyl-r-2-pyrrolidinecarboxylate
Wiley ID 1276341