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sodium (Z)-2-(4-oxo-5-(3-(3-sulfonatopropyl)benzo[d]thiazol-2(3H)-ylidene)-2-thioxothiazolidin-3-yl)acetate
SpectraBase Compound ID 53OsiOpQ5CU
InChI InChI=1S/C15H14N2O6S4.2Na/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14;;/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23);;/q;2*+1/p-2/b14-12-;;
InChIKey WRBPTJATRNEISQ-NEKXZPCZSA-L
Mol Weight 490.48853856 g/mol
Molecular Formula C15H12N2Na2O6S4
Exact Mass 489.937359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Q1KUyhie75
Name sodium (Z)-2-(4-oxo-5-(3-(3-sulfonatopropyl)benzo[d]thiazol-2(3H)-ylidene)-2-thioxothiazolidin-3-yl)acetate
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/C15H14N2O6S4.2Na/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14;;/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23);;/q;2*+1/p-2/b14-12-;;
InChIKey WRBPTJATRNEISQ-NEKXZPCZSA-L
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8798
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/12259366