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5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-(2-thienyl)-1H-pyrrole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-(2-thienyl)-1H-pyrrole
SpectraBase Compound ID FJds62DmsBE
InChI InChI=1S/C27H20ClNOS/c1-30-23-15-13-22(14-16-23)29-25(19-9-11-21(28)12-10-19)18-24(26-8-5-17-31-26)27(29)20-6-3-2-4-7-20/h2-18H,1H3
InChIKey OZEKLHWWLFOXSB-UHFFFAOYSA-N
Mol Weight 441.98 g/mol
Molecular Formula C27H20ClNOS
Exact Mass 441.095413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcKFhmBkgBC
Name 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-(2-thienyl)-1H-pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.095413141 u
Formula C27H20ClNOS
InChI InChI=1S/C27H20ClNOS/c1-30-23-15-13-22(14-16-23)29-25(19-9-11-21(28)12-10-19)18-24(26-8-5-17-31-26)27(29)20-6-3-2-4-7-20/h2-18H,1H3
InChIKey OZEKLHWWLFOXSB-UHFFFAOYSA-N
Molecular Weight 441.976 g/mol
SMILES C=1C=CC(C2=C(C=3SC=CC3)C=C(N2C2=CC=C(OC)C=C2)C=2C=CC(Cl)=CC2)=CC1