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3-[1-(4-methoxyphenyl)-2-pyrrolyl]-4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 6AI6U5u6KGu
InChI InChI=1S/C19H20N2O3/c1-4-24-19(22)18-17(13(2)12-20-18)16-6-5-11-21(16)14-7-9-15(23-3)10-8-14/h5-12,20H,4H2,1-3H3
InChIKey RNGLSGLEXTXSGS-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C19H20N2O3
Exact Mass 324.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8QZW2k6VVR
Name 3-[1-(4-Methoxyphenyl)-2-pyrrolyl]-4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 324.147392509 u
Formula C19H20N2O3
InChI InChI=1S/C19H20N2O3/c1-4-24-19(22)18-17(13(2)12-20-18)16-6-5-11-21(16)14-7-9-15(23-3)10-8-14/h5-12,20H,4H2,1-3H3
InChIKey RNGLSGLEXTXSGS-UHFFFAOYSA-N
Molecular Weight 324.380 g/mol
SMILES C1(C=2N(C3=CC=C(C=C3)OC)C=CC2)=C(NC=C1C)C(=O)OCC