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(E)-3-(2-((1-methylquinolin-2(1H)-ylidene)methyl)benzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate
SpectraBase Compound ID 9qe5zV6bTRy
InChI InChI=1S/C21H20N2O3S2/c1-22-17(12-11-16-7-2-3-8-18(16)22)15-21-23(13-6-14-28(24,25)26)19-9-4-5-10-20(19)27-21/h2-5,7-12,15H,6,13-14H2,1H3
InChIKey DOUDUHOZLVBMBY-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C21H20N2O3S2
Exact Mass 412.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cn1urfYUnPx
Name (E)-3-(2-((1-methylquinolin-2(1H)-ylidene)methyl)benzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.091534857 u
Formula C21H20N2O3S2
InChI InChI=1S/C21H20N2O3S2/c1-22-17(12-11-16-7-2-3-8-18(16)22)15-21-23(13-6-14-28(24,25)26)19-9-4-5-10-20(19)27-21/h2-5,7-12,15H,6,13-14H2,1H3
InChIKey DOUDUHOZLVBMBY-UHFFFAOYSA-N
Molecular Weight 412.522 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7705
Solvent DMSO-d6
Source Vendor ID: NMR/13308515