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2-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
SpectraBase Compound ID LfoHMD3kneN
InChI InChI=1S/C18H18NO2S.BrH/c1-3-18-19(15-6-4-5-7-17(15)22-18)12-16(20)13-8-10-14(21-2)11-9-13;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1
InChIKey HGMDLCHRGCIMQL-UHFFFAOYSA-M
Mol Weight 392.31 g/mol
Molecular Formula C18H18BrNO2S
Exact Mass 391.024163 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1E1BGZuQe4t
Name 2-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H18NO2S.BrH/c1-3-18-19(15-6-4-5-7-17(15)22-18)12-16(20)13-8-10-14(21-2)11-9-13;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1
InChIKey HGMDLCHRGCIMQL-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17009
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00004799; Labnumber: 987/00004799218858; VK_ID: VK-017014
Temperature 318 °C