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(E)-1,5-bis(3-chlorophenyl)-5-(1H-indol-3-yl)pent-1-en-3-one

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

(E)-1,5-bis(3-chlorophenyl)-5-(1H-indol-3-yl)pent-1-en-3-one
SpectraBase Compound ID DIKf3uQaOJL
InChI InChI=1S/C25H19Cl2NO/c26-19-7-3-5-17(13-19)11-12-21(29)15-23(18-6-4-8-20(27)14-18)24-16-28-25-10-2-1-9-22(24)25/h1-14,16,23,28H,15H2/b12-11+
InChIKey IVMCTUOWWGPWGQ-VAWYXSNFSA-N
Mol Weight 420.34 g/mol
Molecular Formula C25H19Cl2NO
Exact Mass 419.08437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPUPyhNCgEL
Name (E)-1,5-bis(3-Chlorophenyl)-5-(1H-indol-3-yl)pent-1-en-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.084369635 u
Formula C25H19Cl2NO
InChI InChI=1S/C25H19Cl2NO/c26-19-7-3-5-17(13-19)11-12-21(29)15-23(18-6-4-8-20(27)14-18)24-16-28-25-10-2-1-9-22(24)25/h1-14,16,23,28H,15H2/b12-11+
InChIKey IVMCTUOWWGPWGQ-VAWYXSNFSA-N
Molecular Weight 420.339 g/mol
SMILES C(=O)(CC(C1=CC=CC(=C1)Cl)C=1C2=C(C=CC=C2)NC1)\C=C\C1=CC(=CC=C1)Cl