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pyridinium, 2-[(Z)-(3-(2-hydroxyethyl)-6-methyl-2(3H)-benzothiazolylidene)methyl]-1-methyl-, iodide
SpectraBase Compound ID CtwSMCqushS
InChI InChI=1S/C17H19N2OS.HI/c1-13-6-7-15-16(11-13)21-17(19(15)9-10-20)12-14-5-3-4-8-18(14)2;/h3-8,11-12,20H,9-10H2,1-2H3;1H/q+1;/p-1
InChIKey JQHJUECZZOUSPT-UHFFFAOYSA-M
Mol Weight 426.32 g/mol
Molecular Formula C17H19IN2OS
Exact Mass 426.026279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ssHmlmVU48
Name pyridinium, 2-[(Z)-(3-(2-hydroxyethyl)-6-methyl-2(3H)-benzothiazolylidene)methyl]-1-methyl-, iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.026279413 u
Formula C17H19IN2OS
InChI InChI=1S/C17H19N2OS.HI/c1-13-6-7-15-16(11-13)21-17(19(15)9-10-20)12-14-5-3-4-8-18(14)2;/h3-8,11-12,20H,9-10H2,1-2H3;1H/q+1;/p-1
InChIKey JQHJUECZZOUSPT-UHFFFAOYSA-M
Molecular Weight 426.316 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7725
Solvent DMSO-d6
Source Vendor ID: NMR/13308539