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3-Ethyl-2-(2-hydroxy-1-propenyl)benzothiazolium chloride

View entire compound with spectra: 2 NMR, and 1 FTIR

3-Ethyl-2-(2-hydroxy-1-propenyl)benzothiazolium chloride
SpectraBase Compound ID C3YpWkTIttl
InChI InChI=1S/C12H13NOS.ClH/c1-3-13-10-6-4-5-7-11(10)15-12(13)8-9(2)14;/h4-8H,3H2,1-2H3;1H
InChIKey QAVZCDSARHLMCC-UHFFFAOYSA-N
Mol Weight 255.76 g/mol
Molecular Formula C12H14ClNOS
Exact Mass 255.048463 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vG3iwuKqWg
Name 3-Ethyl-2-(2-hydroxy-1-propenyl)benzothiazolium chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 293652
CAS Registry Number 157584-19-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNOS
InChI InChI=1S/C12H13NOS.ClH/c1-3-13-10-6-4-5-7-11(10)15-12(13)8-9(2)14;/h4-8H,3H2,1-2H3;1H
InChIKey QAVZCDSARHLMCC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005678