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sodium (Z)-3-(5-methoxy-2-(2-thioxobutylidene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate
SpectraBase Compound ID E4PHusziqYi
InChI InChI=1S/C15H19NO4S3.Na/c1-3-12(21)10-15-16(7-4-8-23(17,18)19)13-9-11(20-2)5-6-14(13)22-15;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1/b15-10-;
InChIKey DMMIIMNICSPJQG-AZJSCORLSA-M
Mol Weight 395.48 g/mol
Molecular Formula C15H18NNaO4S3
Exact Mass 395.029566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9PvJluVkyxu
Name sodium (Z)-3-(5-methoxy-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/C15H19NO4S3.Na/c1-3-12(21)10-15-16(7-4-8-23(17,18)19)13-9-11(20-2)5-6-14(13)22-15;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1/b15-10-;
InChIKey DMMIIMNICSPJQG-AZJSCORLSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5417
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/11288121