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sodium 3-((2Z)-5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate

View entire compound with spectra: 1 NMR

sodium 3-((2Z)-5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
SpectraBase Compound ID HkJsIEb6ok2
InChI InChI=1S/C13H14ClNO3S3.Na/c1-9(19)7-13-15(5-2-6-21(16,17)18)11-8-10(14)3-4-12(11)20-13;/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18);/q;+1/p-1/b13-7-;
InChIKey KXIASPGVNHHEAV-QCCGTXRUSA-M
Mol Weight 385.87 g/mol
Molecular Formula C13H13ClNNaO3S3
Exact Mass 384.964379 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JCJ6Il7mlFv
Name sodium 3-((2Z)-5-chloro-2-(2-thioxopropylidene)-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 384.964378782 u
Formula C13H13ClNNaO3S3
InChI InChI=1S/C13H14ClNO3S3.Na/c1-9(19)7-13-15(5-2-6-21(16,17)18)11-8-10(14)3-4-12(11)20-13;/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18);/q;+1/p-1/b13-7-;
InChIKey KXIASPGVNHHEAV-QCCGTXRUSA-M
Molecular Weight 385.874 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4894
Solvent DMSO-d6
Source Vendor ID: NMR/12318059