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(3R,4S)-4-(chloromethyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrolidin-2-one
SpectraBase Compound ID 4hogwFCVm1R
InChI InChI=1S/C18H18ClNO3S/c1-13-7-9-16(10-8-13)24(22,23)20-12-15(11-19)17(18(20)21)14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3/t15-,17+/m1/s1
InChIKey NPZQTEIVRLBTLU-WBVHZDCISA-N
Mol Weight 363.86 g/mol
Molecular Formula C18H18ClNO3S
Exact Mass 363.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DvZxv846Eh
Name (3R,4S)-4-(chloromethyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO3S
InChI InChI=1S/C18H18ClNO3S/c1-13-7-9-16(10-8-13)24(22,23)20-12-15(11-19)17(18(20)21)14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3/t15-,17+/m1/s1
InChIKey NPZQTEIVRLBTLU-WBVHZDCISA-N
Molecular Weight 363.859 g/mol
SMILES c1(S(N2C([C@](c3ccccc3)([H])[C@@](C2)(CCl)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-052f-9712000000-c1d21d2d9f4e7e5939a7
Source of Spectrum KC-0-678-13
Synonyms (3R,4S)-4-(chloromethyl)-3-phenyl-1-(p-tolylsulfonyl)pyrrolidin-2-one (3R,4S)-4-(chloromethyl)-3-phenyl-1-tosyl-2-pyrrolidone (3R,4S)-4-(chloromethyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2-pyrrolidinone
Wiley ID 830149