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(3E)-3-(2,2-dimethylpropylidene)-5-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
SpectraBase Compound ID Djh0xyTUHtF
InChI InChI=1S/C17H23NO3S/c1-12-6-8-15(9-7-12)22(20,21)18-13(2)10-14(16(18)19)11-17(3,4)5/h6-9,11,13H,10H2,1-5H3/b14-11+
InChIKey WURXEEJQLGDSOZ-SDNWHVSQSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HckBchlJT7L
Name (3E)-3-(2,2-dimethylpropylidene)-5-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-12-6-8-15(9-7-12)22(20,21)18-13(2)10-14(16(18)19)11-17(3,4)5/h6-9,11,13H,10H2,1-5H3/b14-11+
InChIKey WURXEEJQLGDSOZ-SDNWHVSQSA-N
Molecular Weight 321.435 g/mol
SMILES c1(S(N2C(\C(=C\C(C)(C)C)CC2C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9001000000-feb69b80a9b47c333946
Source of Spectrum J-66-173-27
Synonyms (3E)-3-(2,2-dimethylpropylidene)-5-methyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3E)-5-methyl-3-neopentylidene-1-tosyl-2-pyrrolidone (3E)-3-(2,2-dimethylpropylidene)-5-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinone
Wiley ID 1534176