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2-{[(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}benzoic acid
SpectraBase Compound ID 8AFTwXlosKX
InChI InChI=1S/C16H16N4O5S2/c21-12(20-5-7-25-8-6-20)9-26-16-19-18-15(27-16)17-13(22)10-3-1-2-4-11(10)14(23)24/h1-4H,5-9H2,(H,23,24)(H,17,18,22)
InChIKey IYJKZAOXKHTYKA-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C16H16N4O5S2
Exact Mass 408.056212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GVCYk8rlxVn
Name 2-{[(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}benzoic acid
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/C16H16N4O5S2/c21-12(20-5-7-25-8-6-20)9-26-16-19-18-15(27-16)17-13(22)10-3-1-2-4-11(10)14(23)24/h1-4H,5-9H2,(H,23,24)(H,17,18,22)
InChIKey IYJKZAOXKHTYKA-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2308
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/9048692; Labnumber: LP-0610491