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3-Methoxycarbonyl-2-methyl-5-phenyl-4-phenylcarbamoyl-1-ureido-pyrrole
SpectraBase Compound ID KQzc3eD2fgB
InChI InChI=1S/C21H20N4O4/c1-13-16(20(27)29-2)17(19(26)23-15-11-7-4-8-12-15)18(25(13)24-21(22)28)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,26)(H3,22,24,28)
InChIKey SEMKDJVHLOWWQV-UHFFFAOYSA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H20N4O4
Exact Mass 392.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4roKWq624dw
Name 3-Methoxycarbonyl-2-methyl-5-phenyl-4-phenylcarbamoyl-1-ureido-pyrrole
CAS Registry Number 94126-62-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20N4O4
InChI InChI=1S/C21H20N4O4/c1-13-16(20(27)29-2)17(19(26)23-15-11-7-4-8-12-15)18(25(13)24-21(22)28)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,26)(H3,22,24,28)
InChIKey SEMKDJVHLOWWQV-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