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3,6-dichloro-N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID B1WbLcIPbq5
InChI InChI=1S/C23H22Cl3N3O2S/c1-13(2)23(31)29-9-7-28(8-10-29)18-6-4-15(12-17(18)25)27-22(30)21-20(26)16-5-3-14(24)11-19(16)32-21/h3-6,11-13H,7-10H2,1-2H3,(H,27,30)
InChIKey AGAMMYOMKRISIM-UHFFFAOYSA-N
Mol Weight 510.87 g/mol
Molecular Formula C23H22Cl3N3O2S
Exact Mass 509.049831 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9N7rzwmO63
Name 3,6-dichloro-N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide
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/C23H22Cl3N3O2S/c1-13(2)23(31)29-9-7-28(8-10-29)18-6-4-15(12-17(18)25)27-22(30)21-20(26)16-5-3-14(24)11-19(16)32-21/h3-6,11-13H,7-10H2,1-2H3,(H,27,30)
InChIKey AGAMMYOMKRISIM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12118
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: D58969; Labnumber: SPMOSE-0803; SBI_ID: SBI-012121
Temperature 318 °C