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N-[4-(4-acetyl-1-piperazinyl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
SpectraBase Compound ID H25B2AhJVTv
InChI InChI=1S/C21H19Cl2N3O2S/c1-13(27)25-8-10-26(11-9-25)16-5-3-15(4-6-16)24-21(28)20-19(23)17-7-2-14(22)12-18(17)29-20/h2-7,12H,8-11H2,1H3,(H,24,28)
InChIKey JDZNWICRCXLDRT-UHFFFAOYSA-N
Mol Weight 448.37 g/mol
Molecular Formula C21H19Cl2N3O2S
Exact Mass 447.057503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C8kGeEzDisJ
Name N-[4-(4-acetyl-1-piperazinyl)phenyl]-3,6-dichloro-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/C21H19Cl2N3O2S/c1-13(27)25-8-10-26(11-9-25)16-5-3-15(4-6-16)24-21(28)20-19(23)17-7-2-14(22)12-18(17)29-20/h2-7,12H,8-11H2,1H3,(H,24,28)
InChIKey JDZNWICRCXLDRT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12116
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: D58966; Labnumber: SPMOSE-0785; SBI_ID: SBI-012119
Temperature 308 °C