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Methyl 4-methyl-3-[N-(4''-chloro-2""-nitrophenyl)pyrrol-2'-yl]-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 68meBdK4do9
InChI InChI=1S/C17H14ClN3O4/c1-10-9-19-16(17(22)25-2)15(10)13-4-3-7-20(13)12-6-5-11(18)8-14(12)21(23)24/h3-9,19H,1-2H3
InChIKey ZUJJICQQWLTZCW-UHFFFAOYSA-N
Mol Weight 359.77 g/mol
Molecular Formula C17H14ClN3O4
Exact Mass 359.067284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6u8uLt96kFo
Name Methyl 4-methyl-3-[N-(4''-chloro-2""-nitrophenyl)pyrrol-2'-yl]-1H-pyrrole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.067283639 u
Formula C17H14ClN3O4
InChI InChI=1S/C17H14ClN3O4/c1-10-9-19-16(17(22)25-2)15(10)13-4-3-7-20(13)12-6-5-11(18)8-14(12)21(23)24/h3-9,19H,1-2H3
InChIKey ZUJJICQQWLTZCW-UHFFFAOYSA-N
Molecular Weight 359.769 g/mol
SMILES C=1(C2=C(NC=C2C)C(=O)OC)N(C=2C(N(=O)=O)=CC(=CC2)Cl)C=CC1