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3-(1,3-Benzodioxol-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine

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3-(1,3-Benzodioxol-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine
SpectraBase Compound ID 48WGqoNFd6J
InChI InChI=1S/C20H20N2O6/c1-2-26-20(23)18-16(13-8-9-14-15(10-13)28-11-27-14)19(22(24)25)17(21-18)12-6-4-3-5-7-12/h3-10,16-19,21H,2,11H2,1H3/t16-,17+,18+,19+/m1/s1
InChIKey ZVHNTNDJSKBJAV-XWSJACJDSA-N
Mol Weight 384.39 g/mol
Molecular Formula C20H20N2O6
Exact Mass 384.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGtWhvVGEaJ
Name 3-(1,3-Benzodioxol-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine
Alternate Name(s) endo-3-(1,3-Benzodioxole-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine (2S,3R,4S,5S)-3-Benzo[1,3]dioxol-5-yl-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-2-pyrrolidinecarboxylate exo-3-(1,3-Benzodioxole-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O6
InChI InChI=1S/C20H20N2O6/c1-2-26-20(23)18-16(13-8-9-14-15(10-13)28-11-27-14)19(22(24)25)17(21-18)12-6-4-3-5-7-12/h3-10,16-19,21H,2,11H2,1H3/t16-,17+,18+,19+/m1/s1
InChIKey ZVHNTNDJSKBJAV-XWSJACJDSA-N
Molecular Weight 384.388 g/mol
SMILES N1[C@@]([C@]([C@@]([C@@]1(c1ccccc1)[H])(N(=O)=O)[H])(c1cc2OCOc2cc1)[H])(C(=O)OCC)[H]
SPLASH splash10-0ftu-8930000000-d866e3962761a1b0a4c6
Source of Spectrum F-51-13326-4
Wiley ID 794525