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1-(4-chlorophenyl)-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine
SpectraBase Compound ID 9NpDzIKd1gY
InChI InChI=1S/C21H18Cl3N3O2/c1-13-18(20(25-29-13)19-16(23)3-2-4-17(19)24)21(28)27-11-9-26(10-12-27)15-7-5-14(22)6-8-15/h2-8H,9-12H2,1H3
InChIKey SRQLQITYOJVYCC-UHFFFAOYSA-N
Mol Weight 450.75 g/mol
Molecular Formula C21H18Cl3N3O2
Exact Mass 449.04646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 90MPgnauMIH
Name 1-(4-chlorophenyl)-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18Cl3N3O2/c1-13-18(20(25-29-13)19-16(23)3-2-4-17(19)24)21(28)27-11-9-26(10-12-27)15-7-5-14(22)6-8-15/h2-8H,9-12H2,1H3
InChIKey SRQLQITYOJVYCC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2281
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9419928; Labnumber: AM-AC/0188315; UZI_ID: UZI-002283
Temperature 318 °C