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(2R,3R,4S,5R)-5-(4-Bromophenyl)-2-(methoxycarbonyl)-4-nitro-3-(trifluoromethyl)pyrrolidine
SpectraBase Compound ID HwUEDFjT289
InChI InChI=1S/C13H12BrF3N2O4/c1-23-12(20)10-8(13(15,16)17)11(19(21)22)9(18-10)6-2-4-7(14)5-3-6/h2-5,8-11,18H,1H3/t8-,9-,10-,11+/m1/s1
InChIKey ZFFWZBCCRVDOJO-DBIOUOCHSA-N
Mol Weight 397.15 g/mol
Molecular Formula C13H12BrF3N2O4
Exact Mass 395.993254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8SwoUFzjH9
Name (2R,3R,4S,5R)-5-(4-Bromophenyl)-2-(methoxycarbonyl)-4-nitro-3-(trifluoromethyl)pyrrolidine
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Formula C13H12BrF3N2O4
InChI InChI=1S/C13H12BrF3N2O4/c1-23-12(20)10-8(13(15,16)17)11(19(21)22)9(18-10)6-2-4-7(14)5-3-6/h2-5,8-11,18H,1H3/t8-,9-,10-,11+/m1/s1
InChIKey ZFFWZBCCRVDOJO-DBIOUOCHSA-N
Molecular Weight 397.148 g/mol
SMILES N1[C@]([C@]([C@@]([C@]1(c1ccc(cc1)Br)[H])(N(=O)=O)[H])(C(F)(F)F)[H])(C(=O)OC)[H]
SPLASH splash10-03yl-1291000000-04aa371ef19f27d2382e
Source of Spectrum F4-44-269-3b
Wiley ID 1706816