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

*Links on SpectraBase are not permalinks.
(3S,5R)-(-)-3-Methyl-5-phenyl-1-(p-toluenesulfonyl)pyrrolidin-2-one
SpectraBase Compound ID 1yR0vE0zJ96
InChI InChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(12-14(2)18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17+/m0/s1
InChIKey AEDDNWNQLLRSAL-WMLDXEAASA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 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 CqtIIoMhd7B
Name (3S,5R)-(-)-3-Methyl-5-phenyl-1-(p-toluenesulfonyl)pyrrolidin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(12-14(2)18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17+/m0/s1
InChIKey AEDDNWNQLLRSAL-WMLDXEAASA-N
Molecular Weight 329.414 g/mol
SMILES C1(N([C@](C[C@@]1(C)[H])(c1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-014i-0900000000-dff9098a3831c4778495
Source of Spectrum J-66-5806-6
Synonyms (3S,5R)-3-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-2-pyrrolidinone (3S,5R)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-2-pyrrolidinone (3S,5R)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-one (3S,5R)-3-methyl-5-phenyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3S,5R)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrrolidin-2-one
Wiley ID 1535759