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(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
SpectraBase Compound ID 4r1729jq7B4
InChI InChI=1S/C13H17NO3S/c1-9-4-6-12(7-5-9)18(16,17)14-11(3)8-10(2)13(14)15/h4-7,10-11H,8H2,1-3H3/t10-,11-/m0/s1
InChIKey AMLGWZLPHHVFDS-QWRGUYRKSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Krmpk8BqjYk
Name (3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-one
Alternate Name(s) (3S,5S)-3,5-dimethyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3S,5S)-3,5-dimethyl-1-tosyl-2-pyrrolidone (3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinone
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-9-4-6-12(7-5-9)18(16,17)14-11(3)8-10(2)13(14)15/h4-7,10-11H,8H2,1-3H3/t10-,11-/m0/s1
InChIKey AMLGWZLPHHVFDS-QWRGUYRKSA-N
Molecular Weight 267.343 g/mol
SMILES C1(N([C@](C[C@@]1(C)[H])(C)[H])S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-000i-0900000000-fe8214653f1e87d184c1
Source of Spectrum J-66-5806-6
Wiley ID 1535758