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(2S,3S,4R,5S)-Methyl 4-nitro-1-[3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]-3,5-diphenylpyrrolidine-2-carboxylate
SpectraBase Compound ID 3MXTpcHsyx
InChI InChI=1S/C25H27N3O6/c1-34-25(31)24-21(17-9-4-2-5-10-17)23(28(32)33)22(18-11-6-3-7-12-18)27(24)16-14-20(30)26-15-8-13-19(26)29/h2-7,9-12,21-24H,8,13-16H2,1H3/t21-,22+,23-,24+/m1/s1
InChIKey MGMGPJLBJCOUSZ-QPXUXIHVSA-N
Mol Weight 465.51 g/mol
Molecular Formula C25H27N3O6
Exact Mass 465.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qDvqRz8vjK
Name (2S,3S,4R,5S)-Methyl 4-nitro-1-[3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]-3,5-diphenylpyrrolidine-2-carboxylate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O6
InChI InChI=1S/C25H27N3O6/c1-34-25(31)24-21(17-9-4-2-5-10-17)23(28(32)33)22(18-11-6-3-7-12-18)27(24)16-14-20(30)26-15-8-13-19(26)29/h2-7,9-12,21-24H,8,13-16H2,1H3/t21-,22+,23-,24+/m1/s1
InChIKey MGMGPJLBJCOUSZ-QPXUXIHVSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201902382
Molecular Weight 465.506 g/mol
Optical Rotation [a]D17 = 18.4 (c = 1, CHCl3)
Reported Formula C25H27N3O6
SMILES [C@]1(N([C@]([C@@]([C@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])CCC(N1C(CCC1)=O)=O)(C(OC)=O)[H]
SPLASH splash10-00di-0390100000-f151c222552acdbf9d40
Source of Spectrum CCC-12-2019-13
Wiley ID 1839872