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

*Links on SpectraBase are not permalinks.
3-Pyrrolidinecarboxylic acid, 3-methyl-1-(4-methylphenyl)-4,5-dioxo-2-phenyl-, ethyl ester, cis-
SpectraBase Compound ID AhpS07haAA2
InChI InChI=1S/C21H21NO4/c1-4-26-20(25)21(3)17(15-8-6-5-7-9-15)22(19(24)18(21)23)16-12-10-14(2)11-13-16/h5-13,17H,4H2,1-3H3/t17-,21+/m1/s1
InChIKey KKPMKWVWWZTRDE-UTKZUKDTSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 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 HtS6SBI3Rs8
Name 3-Pyrrolidinecarboxylic acid, 3-methyl-1-(4-methylphenyl)-4,5-dioxo-2-phenyl-, ethyl ester, cis-
CAS Registry Number 132525-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-4-26-20(25)21(3)17(15-8-6-5-7-9-15)22(19(24)18(21)23)16-12-10-14(2)11-13-16/h5-13,17H,4H2,1-3H3/t17-,21+/m1/s1
InChIKey KKPMKWVWWZTRDE-UTKZUKDTSA-N
Molecular Weight 351.402 g/mol
SMILES [C@@]1(C(C(=O)N([C@@]1(c1ccccc1)[H])c1ccc(cc1)C)=O)(C(=O)OCC)C
SPLASH splash10-014m-1902000000-09581743e9bb26f7c4b1
Source of Spectrum Y-27-1859-3
Synonyms Ethyl (2R,3S)-3-methyl-1-(4-methylphenyl)-4,5-dioxo-2-phenyl-3-pyrrolidinecarboxylate Ethyl (Z)- 3-methyl-4,5-dioxo-1-(4'-methylphenyl)-2-phenyl-3-pyrrolidinecarboxylate Ethyl (Z)-3-methyl-4,5-dioxo-1-(4-methylphenyl)-2-phenyl-3-pyrrolidinecarboxylate Z-3-methyl-4,5-dioxo-1-(4-methylphenyl)-2-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
Wiley ID 1342682