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(2S,3S,4R,5S)-Methyl 5-(4-bromophenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate
SpectraBase Compound ID 4I3tSGxctkl
InChI InChI=1S/C18H17BrN2O4/c1-25-18(22)16-14(11-5-3-2-4-6-11)17(21(23)24)15(20-16)12-7-9-13(19)10-8-12/h2-10,14-17,20H,1H3/t14-,15-,16-,17+/m0/s1
InChIKey XFIHJNYQYDMGFE-LUKYLMHMSA-N
Mol Weight 405.25 g/mol
Molecular Formula C18H17BrN2O4
Exact Mass 404.03717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60485mmpt6X
Name (2S,3S,4R,5S)-Methyl 5-(4-bromophenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O4
InChI InChI=1S/C18H17BrN2O4/c1-25-18(22)16-14(11-5-3-2-4-6-11)17(21(23)24)15(20-16)12-7-9-13(19)10-8-12/h2-10,14-17,20H,1H3/t14-,15-,16-,17+/m0/s1
InChIKey XFIHJNYQYDMGFE-LUKYLMHMSA-N
Literature Reference DOI 10.1002/adsc.201400563
Molecular Weight 405.248 g/mol
SMILES N1[C@]([C@@]([C@]([C@]1(C(OC)=O)[H])(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)Br)[H]
SPLASH splash10-00dl-0693000000-b8e5ff791e22b85437f3
Source of Spectrum ASC-356-3861/SM7-18r
Synonyms (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-2-pyrrolidinecarboxylic acid methyl ester Methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate Methyl (2S,3S,4R,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-pyrrolidine-2-carboxylate
Wiley ID 1769774