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(3E)-3-(2,2-dimethylpropylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
SpectraBase Compound ID 32Bz4rNon8R
InChI InChI=1S/C16H21NO3S/c1-12-5-7-14(8-6-12)21(19,20)17-10-9-13(15(17)18)11-16(2,3)4/h5-8,11H,9-10H2,1-4H3/b13-11+
InChIKey WPLZTZLZUULVEH-ACCUITESSA-N
Mol Weight 307.41 g/mol
Molecular Formula C16H21NO3S
Exact Mass 307.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeYOc2LFS0F
Name (3E)-3-(2,2-dimethylpropylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
Alternate Name(s) (3E)-3-(2,2-dimethylpropylidene)-1-(p-tolylsulfonyl)pyrrolidin-2-one (3E)-3-neopentylidene-1-tosyl-2-pyrrolidone (3E)-3-(2,2-dimethylpropylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinone
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO3S
InChI InChI=1S/C16H21NO3S/c1-12-5-7-14(8-6-12)21(19,20)17-10-9-13(15(17)18)11-16(2,3)4/h5-8,11H,9-10H2,1-4H3/b13-11+
InChIKey WPLZTZLZUULVEH-ACCUITESSA-N
Molecular Weight 307.408 g/mol
SMILES c1(S(N2C(\C(=C\C(C)(C)C)CC2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-e944ea6b11e754f74236
Source of Spectrum J-66-173-24
Wiley ID 1534181