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

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3-((2Z)-5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
SpectraBase Compound ID 4XbYRnyJ1xJ
InChI InChI=1S/C14H17NO4S3/c1-10(20)8-14-15(6-3-7-22(16,17)18)12-9-11(19-2)4-5-13(12)21-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17,18)/p-1/b14-8-
InChIKey LBEWJRSAUSTFRP-ZSOIEALJSA-M
Mol Weight 358.47 g/mol
Molecular Formula C14H16NO4S3
Exact Mass 358.024147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ea4GoicbQhj
Name 3-((2Z)-5-methoxy-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 358.024146517 u
Formula C14H16NO4S3
InChI InChI=1S/C14H17NO4S3/c1-10(20)8-14-15(6-3-7-22(16,17)18)12-9-11(19-2)4-5-13(12)21-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17,18)/p-1/b14-8-
InChIKey LBEWJRSAUSTFRP-ZSOIEALJSA-M
Molecular Weight 358.465 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4896
Solvent DMSO-d6
Source Vendor ID: NMR/12318061