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(3S,5S)-(+)-5-Benzyl-3-methyl-1-(p-toluenesulfonyl)pyrrolidin-2-one
SpectraBase Compound ID K5RKVhdjsVg
InChI InChI=1S/C19H21NO3S/c1-14-8-10-18(11-9-14)24(22,23)20-17(12-15(2)19(20)21)13-16-6-4-3-5-7-16/h3-11,15,17H,12-13H2,1-2H3/t15-,17-/m0/s1
InChIKey IKXZVYLFCRPLDJ-RDJZCZTQSA-N
Mol Weight 343.44 g/mol
Molecular Formula C19H21NO3S
Exact Mass 343.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vsEzDmqMHW
Name (3S,5S)-(+)-5-Benzyl-3-methyl-1-(p-toluenesulfonyl)pyrrolidin-2-one
Alternate Name(s) (3S,5S)-5-benzyl-3-methyl-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinone (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-(phenylmethyl)-2-pyrrolidinone (3S,5S)-5-benzyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (3S,5S)-5-benzyl-3-methyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-(phenylmethyl)pyrrolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H21NO3S
InChI InChI=1S/C19H21NO3S/c1-14-8-10-18(11-9-14)24(22,23)20-17(12-15(2)19(20)21)13-16-6-4-3-5-7-16/h3-11,15,17H,12-13H2,1-2H3/t15-,17-/m0/s1
InChIKey IKXZVYLFCRPLDJ-RDJZCZTQSA-N
Molecular Weight 343.441 g/mol
SMILES C1(N([C@@](C[C@@]1(C)[H])(Cc1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0a4i-0900000000-ca2d14e387ba83f42b65
Source of Spectrum J-66-5807-6
Wiley ID 1535752