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(E)-3-(2-((1-ethylquinolin-2(1H)-ylidene)methyl)-6-methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate, iodide salt
SpectraBase Compound ID 2CY3wmzlAuk
InChI InChI=1S/C23H24N2O3S2.HI/c1-3-24-19(11-10-18-7-4-5-8-20(18)24)16-23-25(13-6-14-30(26,27)28)21-12-9-17(2)15-22(21)29-23;/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3;1H/p-1
InChIKey RSXDLRCYWZFQQL-UHFFFAOYSA-M
Mol Weight 567.48 g/mol
Molecular Formula C23H24IN2O3S2
Exact Mass 567.027305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5B1TBnU7ybl
Name (E)-3-(2-((1-ethylquinolin-2(1H)-ylidene)methyl)-6-methylbenzo[d]thiazol-3-ium-3-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 567.027304986 u
Formula C23H24IN2O3S2
InChI InChI=1S/C23H24N2O3S2.HI/c1-3-24-19(11-10-18-7-4-5-8-20(18)24)16-23-25(13-6-14-30(26,27)28)21-12-9-17(2)15-22(21)29-23;/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3;1H/p-1
InChIKey RSXDLRCYWZFQQL-UHFFFAOYSA-M
Molecular Weight 567.480 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7722
Solvent DMSO-d6
Source Vendor ID: NMR/13308536