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3-(4-Chlorophenyl)4-phenyl-5-(2-piperazinoethylanilino)isoxazole

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3-(4-Chlorophenyl)4-phenyl-5-(2-piperazinoethylanilino)isoxazole
SpectraBase Compound ID 6v3qaO5jEU7
InChI InChI=1S/C27H27ClN4O/c28-23-13-11-22(12-14-23)26-25(21-7-3-1-4-8-21)27(33-30-26)32(24-9-5-2-6-10-24)20-19-31-17-15-29-16-18-31/h1-14,29H,15-20H2
InChIKey CKJNKJNDGUOLIT-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C27H27ClN4O
Exact Mass 458.187339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHqCwwGdy0C
Name 3-(4-Chlorophenyl)4-phenyl-5-(2-piperazinoethylanilino)isoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.187339204 u
Formula C27H27ClN4O
InChI InChI=1S/C27H27ClN4O/c28-23-13-11-22(12-14-23)26-25(21-7-3-1-4-8-21)27(33-30-26)32(24-9-5-2-6-10-24)20-19-31-17-15-29-16-18-31/h1-14,29H,15-20H2
InChIKey CKJNKJNDGUOLIT-UHFFFAOYSA-N
Molecular Weight 458.993 g/mol
SMILES C1(=NOC(=C1C=1C=CC=CC1)N(C=1C=CC=CC1)CCN1CCNCC1)C=1C=CC(=CC1)Cl