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

*Links on SpectraBase are not permalinks.
(3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2-pyrrolidinone
SpectraBase Compound ID IdyBOv7uMDb
InChI InChI=1S/C15H21NO3S/c1-10(2)14-9-12(4)15(17)16(14)20(18,19)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3/t12-,14-/m0/s1
InChIKey VNIGYMDRVVIALI-JSGCOSHPSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 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 88dMLuidob
Name (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2-pyrrolidinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-10(2)14-9-12(4)15(17)16(14)20(18,19)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3/t12-,14-/m0/s1
InChIKey VNIGYMDRVVIALI-JSGCOSHPSA-N
Molecular Weight 295.397 g/mol
SMILES C1(N([C@@](C[C@@]1(C)[H])(C(C)C)[H])S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0a4i-0900000000-45f965eff4388bae7c91
Source of Spectrum J-66-5807-6
Synonyms (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-pyrrolidin-2-one (3S,5S)-5-isopropyl-3-methyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3S,5S)-5-isopropyl-3-methyl-1-tosyl-2-pyrrolidone
Wiley ID 1535753