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N-Phenyl-4-(bromomethyl)-3-[(phenylsulfonyl)methyl]-2-pyrrolidone
SpectraBase Compound ID AWrHcNN3ZSe
InChI InChI=1S/C18H18BrNO3S/c19-11-14-12-20(15-7-3-1-4-8-15)18(21)17(14)13-24(22,23)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKey AWRRIHJBTRMYMW-UHFFFAOYSA-N
Mol Weight 408.31 g/mol
Molecular Formula C18H18BrNO3S
Exact Mass 407.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTACnycJbBt
Name N-Phenyl-4-(bromomethyl)-3-[(phenylsulfonyl)methyl]-2-pyrrolidone
Alternate Name(s) 4-(bromomethyl)-1-phenyl-3-[(phenylsulfonyl)methyl]-2-pyrrolidinone trans-N-Phenyl-4-(bromomethyl)-3-[(phenylsulfonyl)methyl]-2-pyrrolidone
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Formula C18H18BrNO3S
InChI InChI=1S/C18H18BrNO3S/c19-11-14-12-20(15-7-3-1-4-8-15)18(21)17(14)13-24(22,23)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKey AWRRIHJBTRMYMW-UHFFFAOYSA-N
Molecular Weight 408.310 g/mol
SMILES C1(N(CC(C1CS(=O)(=O)c1ccccc1)CBr)c1ccccc1)=O
SPLASH splash10-066r-2590500000-99e28c36322c5541c75a
Source of Spectrum J-64-2351-9
Wiley ID 1529799