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(Z)-3-(6-methoxy-2-((3-methylbenzo[d]thiazol-3-ium-2-yl)methylene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate, iodide salt

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(Z)-3-(6-methoxy-2-((3-methylbenzo[d]thiazol-3-ium-2-yl)methylene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate, iodide salt
SpectraBase Compound ID 2X0wRdwPw4e
InChI InChI=1S/C20H20N2O4S3.HI/c1-21-15-6-3-4-7-17(15)27-19(21)13-20-22(10-5-11-29(23,24)25)16-9-8-14(26-2)12-18(16)28-20;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;1H/p-1
InChIKey WFBMBNBUMUUXNM-UHFFFAOYSA-M
Mol Weight 575.47 g/mol
Molecular Formula C20H20IN2O4S3
Exact Mass 574.962991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Hr1Vq86pnY
Name (Z)-3-(6-methoxy-2-((3-methylbenzo[d]thiazol-3-ium-2-yl)methylene)benzo[d]thiazol-3(2H)-yl)propane-1-sulfonate, iodide salt
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.962990650 u
Formula C20H20IN2O4S3
InChI InChI=1S/C20H20N2O4S3.HI/c1-21-15-6-3-4-7-17(15)27-19(21)13-20-22(10-5-11-29(23,24)25)16-9-8-14(26-2)12-18(16)28-20;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;1H/p-1
InChIKey WFBMBNBUMUUXNM-UHFFFAOYSA-M
Molecular Weight 575.474 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7719
Solvent DMSO-d6
Source Vendor ID: NMR/13308533