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2-{[(5-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}benzoic acid
SpectraBase Compound ID 21z07BIyXep
InChI InChI=1S/C22H22N4O4S2/c1-11-9-12(2)17(13(3)10-11)23-18(27)14(4)31-22-26-25-21(32-22)24-19(28)15-7-5-6-8-16(15)20(29)30/h5-10,14H,1-4H3,(H,23,27)(H,29,30)(H,24,25,28)
InChIKey XPZIWSYLRADXBI-UHFFFAOYSA-N
Mol Weight 470.56 g/mol
Molecular Formula C22H22N4O4S2
Exact Mass 470.108248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6TIXhYRWaQo
Name 2-{[(5-{[2-(mesitylamino)-1-methyl-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/C22H22N4O4S2/c1-11-9-12(2)17(13(3)10-11)23-18(27)14(4)31-22-26-25-21(32-22)24-19(28)15-7-5-6-8-16(15)20(29)30/h5-10,14H,1-4H3,(H,23,27)(H,29,30)(H,24,25,28)
InChIKey XPZIWSYLRADXBI-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2306
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/9047089; Labnumber: LP-0610482