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2-[({2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)carbonyl]benzoic acid
SpectraBase Compound ID J0k86WzAq6r
InChI InChI=1S/C23H16N4O3S2/c28-21(14-5-1-2-6-15(14)22(29)30)24-13-9-10-18-19(11-13)32-23(27-18)31-12-20-25-16-7-3-4-8-17(16)26-20/h1-11H,12H2,(H,24,28)(H,25,26)(H,29,30)
InChIKey RFTUQMGZZQYXML-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C23H16N4O3S2
Exact Mass 460.066383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MZKfTmFKa2
Name 2-[({2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}amino)carbonyl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H16N4O3S2/c28-21(14-5-1-2-6-15(14)22(29)30)24-13-9-10-18-19(11-13)32-23(27-18)31-12-20-25-16-7-3-4-8-17(16)26-20/h1-11H,12H2,(H,24,28)(H,25,26)(H,29,30)
InChIKey RFTUQMGZZQYXML-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_897
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: ZI/8168379; Labnumber: LP-0605582
Temperature 297 °C