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Propanedioic acid, 2-[[[2-(1H-pyrrol-1-yl)phenyl]amino]methylene]-, diethyl ester
SpectraBase Compound ID 3B1ND3ofZsQ
InChI InChI=1S/C18H20N2O4/c1-3-23-17(21)14(18(22)24-4-2)13-19-15-9-5-6-10-16(15)20-11-7-8-12-20/h5-13,19H,3-4H2,1-2H3
InChIKey CCWDOZNHWALXGS-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C18H20N2O4
Exact Mass 328.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpmqR4atkKy
Name Propanedioic acid, 2-[[[2-(1H-pyrrol-1-yl)phenyl]amino]methylene]-, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.142307128 u
Formula C18H20N2O4
InChI InChI=1S/C18H20N2O4/c1-3-23-17(21)14(18(22)24-4-2)13-19-15-9-5-6-10-16(15)20-11-7-8-12-20/h5-13,19H,3-4H2,1-2H3
InChIKey CCWDOZNHWALXGS-UHFFFAOYSA-N
Molecular Weight 328.368 g/mol
SMILES CCOC(=O)C(=CNC1=CC=CC=C1N1C=CC=C1)C(=O)OCC