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endo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine
SpectraBase Compound ID 7YzImfid53H
InChI InChI=1S/C20H19N3O8/c1-2-29-20(24)18-16(12-8-14-15(31-10-30-14)9-13(12)22(25)26)19(23(27)28)17(21-18)11-6-4-3-5-7-11/h3-9,16-19,21H,2,10H2,1H3/t16-,17+,18+,19+/m1/s1
InChIKey BWQGETGFJBWJTR-XWSJACJDSA-N
Mol Weight 429.39 g/mol
Molecular Formula C20H19N3O8
Exact Mass 429.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fp5tGyb3KhR
Name endo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine
Alternate Name(s) (2S,3R,4S,5S)-4-Nitro-3-(6-nitro-benzo[1,3]dioxol-5-yl)-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Ethyl 4-nitro-3-(6-nitro-1,3-benzodioxol-5-yl)-5-phenyl-2-pyrrolidinecarboxylate exo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O8
InChI InChI=1S/C20H19N3O8/c1-2-29-20(24)18-16(12-8-14-15(31-10-30-14)9-13(12)22(25)26)19(23(27)28)17(21-18)11-6-4-3-5-7-11/h3-9,16-19,21H,2,10H2,1H3/t16-,17+,18+,19+/m1/s1
InChIKey BWQGETGFJBWJTR-XWSJACJDSA-N
Molecular Weight 429.385 g/mol
SMILES N1[C@@]([C@]([C@@]([C@@]1(c1ccccc1)[H])(N(=O)=O)[H])(c1c(N(=O)=O)cc2c(c1)OCO2)[H])(C(=O)OCC)[H]
SPLASH splash10-07cv-0793000000-6d452247f298c87af5b1
Source of Spectrum F-51-13327-4
Wiley ID 794523