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N-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]-N'-(2,4-dichlorobenzoyl)thiourea

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N-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]-N'-(2,4-dichlorobenzoyl)thiourea
SpectraBase Compound ID LxklQ26RUxf
InChI InChI=1S/C22H23Cl3N4O2S/c1-2-3-20(30)29-10-8-28(9-11-29)19-7-5-15(13-18(19)25)26-22(32)27-21(31)16-6-4-14(23)12-17(16)24/h4-7,12-13H,2-3,8-11H2,1H3,(H2,26,27,31,32)
InChIKey ROYOYYVQUDPKDU-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 KLJlwOHjAc
Name N-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]-N'-(2,4-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/c1-2-3-20(30)29-10-8-28(9-11-29)19-7-5-15(13-18(19)25)26-22(32)27-21(31)16-6-4-14(23)12-17(16)24/h4-7,12-13H,2-3,8-11H2,1H3,(H2,26,27,31,32)
InChIKey ROYOYYVQUDPKDU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18523
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: D32853; Labnumber: SPMOS1-37158; SBI_ID: SBI-018526
Temperature 306 °C