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(2S,3S,4R,5S)-Isopropyl 3-(4-bromophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
SpectraBase Compound ID GoLaaZN7xX
InChI InChI=1S/C20H21BrN2O4/c1-12(2)27-20(24)18-16(13-8-10-15(21)11-9-13)19(23(25)26)17(22-18)14-6-4-3-5-7-14/h3-12,16-19,22H,1-2H3/t16-,17-,18-,19+/m0/s1
InChIKey RHSWESCIDYISFO-CADBVGFASA-N
Mol Weight 433.3 g/mol
Molecular Formula C20H21BrN2O4
Exact Mass 432.06847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pD09NsDVg
Name (2S,3S,4R,5S)-Isopropyl 3-(4-bromophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrN2O4
InChI InChI=1S/C20H21BrN2O4/c1-12(2)27-20(24)18-16(13-8-10-15(21)11-9-13)19(23(25)26)17(22-18)14-6-4-3-5-7-14/h3-12,16-19,22H,1-2H3/t16-,17-,18-,19+/m0/s1
InChIKey RHSWESCIDYISFO-CADBVGFASA-N
Literature Reference DOI 10.1021/ol4006618
Molecular Weight 433.302 g/mol
SMILES N1[C@@]([C@@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)Br)[H])(C(OC(C)C)=O)[H]
SPLASH splash10-00di-0394000000-151253116d51c7622367
Source of Spectrum A1-15-2902/SMS8-2n
Wiley ID 1748539