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(3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrrolidin-2-one
SpectraBase Compound ID 7RlOfRA1WGZ
InChI InChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(12-14(2)18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17-/m0/s1
InChIKey AEDDNWNQLLRSAL-YOEHRIQHSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYiriTCsTge
Name (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrrolidin-2-one
Alternate Name(s) (3S,5S)-3-methyl-5-phenyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3S,5S)-3-methyl-5-phenyl-1-tosyl-2-pyrrolidone (3S,5S)-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenyl-2-pyrrolidinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(12-14(2)18(19)20)15-6-4-3-5-7-15/h3-11,14,17H,12H2,1-2H3/t14-,17-/m0/s1
InChIKey AEDDNWNQLLRSAL-YOEHRIQHSA-N
Molecular Weight 329.414 g/mol
SMILES C1(N([C@@](C[C@@]1(C)[H])(c1ccccc1)[H])S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-014i-0900000000-2ba38b681a1ae22fa475
Source of Spectrum J-66-5806-6
Wiley ID 1535755