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Ethyl 3-(3,4-methylenedioxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID LgLVlNuydzx
InChI InChI=1S/C20H17NO4/c1-2-23-20(22)19-15(11-16(21-19)13-6-4-3-5-7-13)14-8-9-17-18(10-14)25-12-24-17/h3-11,21H,2,12H2,1H3
InChIKey OEJHSTCWHZVLIK-UHFFFAOYSA-N
Mol Weight 335.36 g/mol
Molecular Formula C20H17NO4
Exact Mass 335.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpMXHKHxSWJ
Name Ethyl 3-(3,4-methylenedioxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.115758027 u
Formula C20H17NO4
InChI InChI=1S/C20H17NO4/c1-2-23-20(22)19-15(11-16(21-19)13-6-4-3-5-7-13)14-8-9-17-18(10-14)25-12-24-17/h3-11,21H,2,12H2,1H3
InChIKey OEJHSTCWHZVLIK-UHFFFAOYSA-N
Molecular Weight 335.359 g/mol
SMILES C1(=C(C=C(N1)C1=CC=CC=C1)C1=CC=2OCOC2C=C1)C(=O)OCC