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N-(4-(4-(2-Fluorophenyl)piperazin-1-yl)butyl)-3-(4-iodophenyl)acryl amide

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N-(4-(4-(2-Fluorophenyl)piperazin-1-yl)butyl)-3-(4-iodophenyl)acryl amide
SpectraBase Compound ID F4FrE3m8lf3
InChI InChI=1S/C23H27FIN3O/c24-21-5-1-2-6-22(21)28-17-15-27(16-18-28)14-4-3-13-26-23(29)12-9-19-7-10-20(25)11-8-19/h1-2,5-12H,3-4,13-18H2,(H,26,29)/b12-9+
InChIKey LZAFHLRBOTXIJF-FMIVXFBMSA-N
Mol Weight 507.39 g/mol
Molecular Formula C23H27FIN3O
Exact Mass 507.118286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqYpfbjFp8q
Name N-(4-(4-(2-Fluorophenyl)piperazin-1-yl)butyl)-3-(4-iodophenyl)acryl amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.118285663 u
Formula C23H27FIN3O
InChI InChI=1S/C23H27FIN3O/c24-21-5-1-2-6-22(21)28-17-15-27(16-18-28)14-4-3-13-26-23(29)12-9-19-7-10-20(25)11-8-19/h1-2,5-12H,3-4,13-18H2,(H,26,29)/b12-9+
InChIKey LZAFHLRBOTXIJF-FMIVXFBMSA-N
Molecular Weight 507.392 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)I)(=O)NCCCCN1CCN(CC1)C=1C(=CC=CC1)F