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3,6-dichloro-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID E34V9Xi013k
InChI InChI=1S/C23H23Cl2N3O2S/c1-14(2)23(30)28-11-9-27(10-12-28)17-6-4-16(5-7-17)26-22(29)21-20(25)18-8-3-15(24)13-19(18)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,26,29)
InChIKey HTPKHKFQFJYJGI-UHFFFAOYSA-N
Mol Weight 476.42 g/mol
Molecular Formula C23H23Cl2N3O2S
Exact Mass 475.088804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcbFxU6yfIC
Name 3,6-dichloro-N-[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/C23H23Cl2N3O2S/c1-14(2)23(30)28-11-9-27(10-12-28)17-6-4-16(5-7-17)26-22(29)21-20(25)18-8-3-15(24)13-19(18)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,26,29)
InChIKey HTPKHKFQFJYJGI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12119
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: D58970; Labnumber: SPMOSE-0804; SBI_ID: SBI-012122
Temperature 318 °C