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sodium (Z)-3-(2-(2-thioxobutylidene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate
SpectraBase Compound ID 62O8UI0gFYg
InChI InChI=1S/C14H17NO3S3.Na/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14;/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18);/q;+1/p-1/b14-10-;
InChIKey WDRHCOWTQXVDMV-DZOOLQPHSA-M
Mol Weight 365.46 g/mol
Molecular Formula C14H16NNaO3S3
Exact Mass 365.019001 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YFMk3HJn8i
Name sodium (Z)-3-(2-(2-thioxobutylidene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate
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/C14H17NO3S3.Na/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14;/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18);/q;+1/p-1/b14-10-;
InChIKey WDRHCOWTQXVDMV-DZOOLQPHSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5418
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: NMR/11288122