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4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID 9206w6qXOwO
InChI InChI=1S/C17H20ClN3O2/c1-20-7-9-21(10-8-20)16-14(11-19-15(16)17(22)23-2)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
InChIKey YUQFAESSQZONHD-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C17H20ClN3O2
Exact Mass 333.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTIZ4Wn8879
Name 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-1H-pyrrole-2-carboxylic acid methyl ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20ClN3O2
InChI InChI=1S/C17H20ClN3O2/c1-20-7-9-21(10-8-20)16-14(11-19-15(16)17(22)23-2)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
InChIKey YUQFAESSQZONHD-UHFFFAOYSA-N
Literature Reference Author A.ROLFS,C.MUEGGE,J.LIEBSCHER
Literature Reference Citation MAGN.RES.CHEM.,32,782(1994)
Literature Reference DOI 10.1002/mrc.1260321212
Molecular Weight 333.818 g/mol
Solvent CDCl3
Source File Reference UWGE1074