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3-chloro-N-{4-[(4-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}cyclohexyl)methyl]cyclohexyl}-1-benzothiophene-2-carboxamide
SpectraBase Compound ID G7vpAfsgWyl
InChI InChI=1S/C31H32Cl2N2O2S2/c32-26-22-5-1-3-7-24(22)38-28(26)30(36)34-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)35-31(37)29-27(33)23-6-2-4-8-25(23)39-29/h1-8,18-21H,9-17H2,(H,34,36)(H,35,37)
InChIKey ZGTBOYVELKMSMX-UHFFFAOYSA-N
Mol Weight 599.6 g/mol
Molecular Formula C31H32Cl2N2O2S2
Exact Mass 598.128226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0ZnL8cFdY0
Name 3-chloro-N-{4-[(4-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}cyclohexyl)methyl]cyclohexyl}-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/C31H32Cl2N2O2S2/c32-26-22-5-1-3-7-24(22)38-28(26)30(36)34-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)35-31(37)29-27(33)23-6-2-4-8-25(23)39-29/h1-8,18-21H,9-17H2,(H,34,36)(H,35,37)
InChIKey ZGTBOYVELKMSMX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15403
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: UZI/6224067; UBI_ID: UBI-015406
Temperature 318 °C