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(2S,3R,4S,5S)-5-(2,4-Dichlorophenyl)-2-ethoxycarbonyl-3-(4-methoxyphenyl)-4-nitropyrrolidine
SpectraBase Compound ID I59OUXNJUzg
InChI InChI=1S/C20H20Cl2N2O5/c1-3-29-20(25)18-16(11-4-7-13(28-2)8-5-11)19(24(26)27)17(23-18)14-9-6-12(21)10-15(14)22/h4-10,16-19,23H,3H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChIKey WNXREIFWHRKXEM-XWSJACJDSA-N
Mol Weight 439.3 g/mol
Molecular Formula C20H20Cl2N2O5
Exact Mass 438.074927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LjYjZrTqBV
Name (2S,3R,4S,5S)-5-(2,4-Dichlorophenyl)-2-ethoxycarbonyl-3-(4-methoxyphenyl)-4-nitropyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20Cl2N2O5
InChI InChI=1S/C20H20Cl2N2O5/c1-3-29-20(25)18-16(11-4-7-13(28-2)8-5-11)19(24(26)27)17(23-18)14-9-6-12(21)10-15(14)22/h4-10,16-19,23H,3H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChIKey WNXREIFWHRKXEM-XWSJACJDSA-N
Molecular Weight 439.295 g/mol
SMILES N1[C@@]([C@]([C@@]([C@@]1(c1c(cc(cc1)Cl)Cl)[H])([N+]([O-])=O)[H])(c1ccc(cc1)OC)[H])(C(=O)OCC)[H]
SPLASH splash10-0006-0191000000-897ff0cf074e141ddc50
Source of Spectrum F-56-8548-3a
Wiley ID 858978