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N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,3-dichlorobenzoyl)thiourea

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N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,3-dichlorobenzoyl)thiourea
SpectraBase Compound ID EsXhj6qUsrP
InChI InChI=1S/C22H23Cl3N4O2S/c1-13(2)21(31)29-10-8-28(9-11-29)18-7-6-14(12-17(18)24)26-22(32)27-20(30)15-4-3-5-16(23)19(15)25/h3-7,12-13H,8-11H2,1-2H3,(H2,26,27,30,32)
InChIKey VAETUJBGOKPDPT-UHFFFAOYSA-N
Mol Weight 513.87 g/mol
Molecular Formula C22H23Cl3N4O2S
Exact Mass 512.06073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wQfR0GS4Pc
Name N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,3-dichlorobenzoyl)thiourea
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/C22H23Cl3N4O2S/c1-13(2)21(31)29-10-8-28(9-11-29)18-7-6-14(12-17(18)24)26-22(32)27-20(30)15-4-3-5-16(23)19(15)25/h3-7,12-13H,8-11H2,1-2H3,(H2,26,27,30,32)
InChIKey VAETUJBGOKPDPT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35063
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: E83317; SBI_ID: SBI-035067
Temperature 298 °C