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sodium 3-((2Z)-5-methyl-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate

View entire compound with spectra: 1 NMR

sodium 3-((2Z)-5-methyl-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
SpectraBase Compound ID ErLvLkBmUAf
InChI InChI=1S/C15H19NO3S3.Na/c1-3-12(20)10-15-16(7-4-8-22(17,18)19)13-9-11(2)5-6-14(13)21-15;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1/b15-10-;
InChIKey YWUCXGHNXXSWBO-AZJSCORLSA-M
Mol Weight 379.48 g/mol
Molecular Formula C15H18NNaO3S3
Exact Mass 379.034651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JUnw9HpVnRM
Name sodium 3-((2Z)-5-methyl-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.034651243 u
Formula C15H18NNaO3S3
InChI InChI=1S/C15H19NO3S3.Na/c1-3-12(20)10-15-16(7-4-8-22(17,18)19)13-9-11(2)5-6-14(13)21-15;/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1/b15-10-;
InChIKey YWUCXGHNXXSWBO-AZJSCORLSA-M
Molecular Weight 379.483 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4891
Solvent DMSO-d6
Source Vendor ID: NMR/12318056