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N-(t-Butoxycarbonyl)-2,5-bis(o-nitrophenyl)pyrrole
SpectraBase Compound ID Ls2afj7bXyG
InChI InChI=1S/C21H19N3O6/c1-21(2,3)30-20(25)22-16(14-8-4-6-10-18(14)23(26)27)12-13-17(22)15-9-5-7-11-19(15)24(28)29/h4-13H,1-3H3
InChIKey PGZMNFFORFKSML-UHFFFAOYSA-N
Mol Weight 409.4 g/mol
Molecular Formula C21H19N3O6
Exact Mass 409.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzBuxs9vgRl
Name N-(t-Butoxycarbonyl)-2,5-bis(o-nitrophenyl)pyrrole
Alternate Name(s) tert-Butyl 2,5-bis(2-nitrophenyl)-1H-pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O6
InChI InChI=1S/C21H19N3O6/c1-21(2,3)30-20(25)22-16(14-8-4-6-10-18(14)23(26)27)12-13-17(22)15-9-5-7-11-19(15)24(28)29/h4-13H,1-3H3
InChIKey PGZMNFFORFKSML-UHFFFAOYSA-N
Molecular Weight 409.398 g/mol
SMILES c1([n](c(cc1)-c1c(N(=O)=O)cccc1)C(OC(C)(C)C)=O)-c1c(N(=O)=O)cccc1
SPLASH splash10-0a4i-9103100000-90a45770faee8c8ba5fc
Source of Spectrum F-51-5358-14
Wiley ID 791976