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N-Acetyl-3-(1,3-Benzodioxol-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine
SpectraBase Compound ID 4PHKv2d2s5H
InChI InChI=1S/C22H22N2O7/c1-3-29-22(26)21-18(15-9-10-16-17(11-15)31-12-30-16)20(24(27)28)19(23(21)13(2)25)14-7-5-4-6-8-14/h4-11,18-21H,3,12H2,1-2H3
InChIKey WATCGQGVBHIKLB-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C22H22N2O7
Exact Mass 426.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HnEvKjANr1
Name N-Acetyl-3-(1,3-Benzodioxol-5-yl)-2-ethoxycarbonyl-4-nitro-5-phenylpyrrolidine
Alternate Name(s) (2S,3S,4R,5S)-1-Acetyl-3-benzo[1,3]dioxol-5-yl-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Ethyl 1-acetyl-3-(1,3-benzodioxol-5-yl)-4-nitro-5-phenyl-2-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O7
InChI InChI=1S/C22H22N2O7/c1-3-29-22(26)21-18(15-9-10-16-17(11-15)31-12-30-16)20(24(27)28)19(23(21)13(2)25)14-7-5-4-6-8-14/h4-11,18-21H,3,12H2,1-2H3
InChIKey WATCGQGVBHIKLB-UHFFFAOYSA-N
Molecular Weight 426.425 g/mol
SMILES C1(C(C(C(=O)OCC)N(C1c1ccccc1)C(=O)C)c1cc2OCOc2cc1)N(=O)=O
SPLASH splash10-004l-9666400000-e7f10be3c9d66bd5e63a
Source of Spectrum F-51-11499-26
Wiley ID 794011