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2-[3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]ethyl acetate

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2-[3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]ethyl acetate
SpectraBase Compound ID ByJLIzV3sfz
InChI InChI=1S/C27H22N2O2/c1-20(30)31-17-16-29-26(23-8-4-2-5-9-23)18-25(22-14-12-21(19-28)13-15-22)27(29)24-10-6-3-7-11-24/h2-15,18H,16-17H2,1H3
InChIKey GHGCCPDYSZDGGM-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C27H22N2O2
Exact Mass 406.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yYbG5clHzk
Name 2-[3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]ethyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.168127954 u
Formula C27H22N2O2
InChI InChI=1S/C27H22N2O2/c1-20(30)31-17-16-29-26(23-8-4-2-5-9-23)18-25(22-14-12-21(19-28)13-15-22)27(29)24-10-6-3-7-11-24/h2-15,18H,16-17H2,1H3
InChIKey GHGCCPDYSZDGGM-UHFFFAOYSA-N
Molecular Weight 406.485 g/mol
SMILES C(C)(=O)OCCN1C(=C(C=C1C=1C=CC=CC1)C=1C=CC(=CC1)C#N)C=1C=CC=CC1