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methyl 4-[({[6-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 8wVBJrAMs4v
InChI InChI=1S/C22H19N5O4S4/c1-12-26-27-22(34-12)33-11-19(29)24-15-7-8-16-17(9-15)35-21(25-16)32-10-18(28)23-14-5-3-13(4-6-14)20(30)31-2/h3-9H,10-11H2,1-2H3,(H,23,28)(H,24,29)
InChIKey HBNZBWDWPUKGOR-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C22H19N5O4S4
Exact Mass 545.031989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FGBfLWnBfWg
Name methyl 4-[({[6-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
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/C22H19N5O4S4/c1-12-26-27-22(34-12)33-11-19(29)24-15-7-8-16-17(9-15)35-21(25-16)32-10-18(28)23-14-5-3-13(4-6-14)20(30)31-2/h3-9H,10-11H2,1-2H3,(H,23,28)(H,24,29)
InChIKey HBNZBWDWPUKGOR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_824
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/8162053; Labnumber: LP-0605411
Temperature 303 °C