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(3R,4R)-1-benzyl-4-(besylmethyl)-3-(1-bromo-1-methyl-ethyl)-2-pyrrolidone
SpectraBase Compound ID 9R440IMSw3B
InChI InChI=1S/C21H24BrNO3S/c1-21(2,22)19-17(15-27(25,26)18-11-7-4-8-12-18)14-23(20(19)24)13-16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3/t17-,19-/m1/s1
InChIKey GNFLMQNZMOHJGT-IEBWSBKVSA-N
Mol Weight 450.39 g/mol
Molecular Formula C21H24BrNO3S
Exact Mass 449.066028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZVqzdxpNAg
Name (3R,4R)-1-benzyl-4-(besylmethyl)-3-(1-bromo-1-methyl-ethyl)-2-pyrrolidone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24BrNO3S
InChI InChI=1S/C21H24BrNO3S/c1-21(2,22)19-17(15-27(25,26)18-11-7-4-8-12-18)14-23(20(19)24)13-16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3/t17-,19-/m1/s1
InChIKey GNFLMQNZMOHJGT-IEBWSBKVSA-N
Molecular Weight 450.391 g/mol
SMILES C1(N(C[C@@]([C@]1(C(Br)(C)C)[H])(CS(=O)(=O)c1ccccc1)[H])Cc1ccccc1)=O
SPLASH splash10-0296-9075000000-88cbbc868e88041f662d
Source of Spectrum J-64-2351-13
Synonyms (3R,4R)-3-(2-bromanylpropan-2-yl)-1-(phenylmethyl)-4-(phenylsulfonylmethyl)pyrrolidin-2-one (3R,4R)-4-(benzenesulfonylmethyl)-1-benzyl-3-(1-bromo-1-methyl-ethyl)pyrrolidin-2-one (3R,4R)-4-(benzenesulfonylmethyl)-1-benzyl-3-(2-bromopropan-2-yl)pyrrolidin-2-one (3R,4R)-4-(benzenesulfonylmethyl)-3-(2-bromopropan-2-yl)-1-(phenylmethyl)-2-pyrrolidinone
Wiley ID 1529789