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3-chloro-N-(6-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}hexyl)-6-methyl-1-benzothiophene-2-carboxamide
SpectraBase Compound ID DZHZlpiZ7nr
InChI InChI=1S/C26H26Cl2N2O2S2/c1-15-7-9-17-19(13-15)33-23(21(17)27)25(31)29-11-5-3-4-6-12-30-26(32)24-22(28)18-10-8-16(2)14-20(18)34-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey PNQYTXCFUISHTB-UHFFFAOYSA-N
Mol Weight 533.53 g/mol
Molecular Formula C26H26Cl2N2O2S2
Exact Mass 532.081276 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6rmefpTVEaU
Name 3-chloro-N-(6-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}hexyl)-6-methyl-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/C26H26Cl2N2O2S2/c1-15-7-9-17-19(13-15)33-23(21(17)27)25(31)29-11-5-3-4-6-12-30-26(32)24-22(28)18-10-8-16(2)14-20(18)34-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey PNQYTXCFUISHTB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14856
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/9075854; Labnumber: NSB0092848; UZI_ID: UZI-014860
Temperature 318 °C