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1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-(2-ethoxyphenyl)piperazine
SpectraBase Compound ID 3g4FaPDIIfL
InChI InChI=1S/C23H24ClN3O3/c1-3-29-20-11-7-6-10-19(20)26-12-14-27(15-13-26)23(28)21-16(2)30-25-22(21)17-8-4-5-9-18(17)24/h4-11H,3,12-15H2,1-2H3
InChIKey IMNDTCMHZAAKAX-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C23H24ClN3O3
Exact Mass 425.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5FK8H6lyKu
Name 1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-(2-ethoxyphenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.150619342 u
Formula C23H24ClN3O3
InChI InChI=1S/C23H24ClN3O3/c1-3-29-20-11-7-6-10-19(20)26-12-14-27(15-13-26)23(28)21-16(2)30-25-22(21)17-8-4-5-9-18(17)24/h4-11H,3,12-15H2,1-2H3
InChIKey IMNDTCMHZAAKAX-UHFFFAOYSA-N
Molecular Weight 425.916 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1)C(N1CCN(C2=C(OCC)C=CC=C2)CC1)=O