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3-[2-oxo-2-(pentyloxy)ethyl]-1,3-benzothiazol-3-ium bromide

View entire compound with spectra: 1 NMR

3-[2-oxo-2-(pentyloxy)ethyl]-1,3-benzothiazol-3-ium bromide
SpectraBase Compound ID 1vZalXY46IW
InChI InChI=1S/C14H18NO2S.BrH/c1-2-3-6-9-17-14(16)10-15-11-18-13-8-5-4-7-12(13)15;/h4-5,7-8,11H,2-3,6,9-10H2,1H3;1H/q+1;/p-1
InChIKey JSSCDMWFJWUKQV-UHFFFAOYSA-M
Mol Weight 344.27 g/mol
Molecular Formula C14H18BrNO2S
Exact Mass 343.024163 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sm5AK1gmrJ
Name 3-[2-oxo-2-(pentyloxy)ethyl]-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/C14H18NO2S.BrH/c1-2-3-6-9-17-14(16)10-15-11-18-13-8-5-4-7-12(13)15;/h4-5,7-8,11H,2-3,6,9-10H2,1H3;1H/q+1;/p-1
InChIKey JSSCDMWFJWUKQV-UHFFFAOYSA-M
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16357
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: 987/00003662; Labnumber: 987/00003662218844; VK_ID: VK-016362
Temperature 308 °C