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(2R,3R,4S,5R)-2-(Methoxycarbonyl)-4-nitro-5-(4-chlorophenyl)-3-(trifluoromethyl)pyrrolidine
SpectraBase Compound ID EemC1bW2kaD
InChI InChI=1S/C13H12ClF3N2O4/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 RNDBIYSAVXYLGK-DBIOUOCHSA-N
Mol Weight 352.7 g/mol
Molecular Formula C13H12ClF3N2O4
Exact Mass 352.043769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWJPYOLc8LW
Name (2R,3R,4S,5R)-2-(Methoxycarbonyl)-4-nitro-5-(4-chlorophenyl)-3-(trifluoromethyl)pyrrolidine
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Formula C13H12ClF3N2O4
InChI InChI=1S/C13H12ClF3N2O4/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 RNDBIYSAVXYLGK-DBIOUOCHSA-N
Molecular Weight 352.697 g/mol
SMILES N1[C@]([C@]([C@@]([C@]1(c1ccc(cc1)Cl)[H])(N(=O)=O)[H])(C(F)(F)F)[H])(C(=O)OC)[H]
SPLASH splash10-0002-0391000000-43056f3b4419c8d74cbd
Source of Spectrum F4-44-269-3d
Synonyms (2R,3R,4S,5R)-5-(4-chlorophenyl)-4-nitro-3-(trifluoromethyl)-2-pyrrolidinecarboxylic acid methyl ester Methyl (2R,3R,4S,5R)-5-(4-chlorophenyl)-4-nitro-3-(trifluoromethyl)pyrrolidine-2-carboxylate
Wiley ID 1706814