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5-(tert-butyl)-2-mercapto-1H-imidazol-3-ium bromide

View entire compound with spectra: 1 NMR

5-(tert-butyl)-2-mercapto-1H-imidazol-3-ium bromide
SpectraBase Compound ID 5PTAG2NvvUC
InChI InChI=1S/C7H12N2S.BrH/c1-7(2,3)5-4-8-6(10)9-5;/h4H,1-3H3,(H2,8,9,10);1H
InChIKey NBDXLGHNJQAZJF-UHFFFAOYSA-N
Mol Weight 237.16 g/mol
Molecular Formula C7H13BrN2S
Exact Mass 235.998283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KRHYkeXtbcY
Name 5-(tert-butyl)-2-mercapto-1H-imidazol-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/C7H12N2S.BrH/c1-7(2,3)5-4-8-6(10)9-5;/h4H,1-3H3,(H2,8,9,10);1H
InChIKey NBDXLGHNJQAZJF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15818
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: 987/00002678; Labnumber: 987/00002678218832; VK_ID: VK-015823
Temperature 308 °C