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4-(4-Chloro-anilinocarbonyl)-3-ethoxycarbonyl-2,5-dimethyl-1-(N'-phenyl-ureido)-pyrrole

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4-(4-Chloro-anilinocarbonyl)-3-ethoxycarbonyl-2,5-dimethyl-1-(N'-phenyl-ureido)-pyrrole
SpectraBase Compound ID 8Zw09hJWGxy
InChI InChI=1S/C23H23ClN4O4/c1-4-32-22(30)20-15(3)28(27-23(31)26-17-8-6-5-7-9-17)14(2)19(20)21(29)25-18-12-10-16(24)11-13-18/h5-13H,4H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKey ATJBZAGMUKYRTK-UHFFFAOYSA-N
Mol Weight 454.91 g/mol
Molecular Formula C23H23ClN4O4
Exact Mass 454.140783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzZfCEGiMaB
Name 4-(4-Chloro-anilinocarbonyl)-3-ethoxycarbonyl-2,5-dimethyl-1-(N'-phenyl-ureido)-pyrrole
CAS Registry Number 94126-70-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H23ClN4O4
InChI InChI=1S/C23H23ClN4O4/c1-4-32-22(30)20-15(3)28(27-23(31)26-17-8-6-5-7-9-17)14(2)19(20)21(29)25-18-12-10-16(24)11-13-18/h5-13H,4H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKey ATJBZAGMUKYRTK-UHFFFAOYSA-N
Instrument Name Bruker CXP-300
Literature Reference O.A. Attanasi, M. Grossi, F.R. Perrulli, Magn. Res. Chem. 26, 714 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3