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1-(tert-butyl)-2-(4-methoxybenzyl)-3-phenylisothiouronium bromide

View entire compound with spectra: 1 NMR

1-(tert-butyl)-2-(4-methoxybenzyl)-3-phenylisothiouronium bromide
SpectraBase Compound ID JTQK2SMxChd
InChI InChI=1S/C19H24N2OS.BrH/c1-19(2,3)21-18(20-16-8-6-5-7-9-16)23-14-15-10-12-17(22-4)13-11-15;/h5-13H,14H2,1-4H3,(H,20,21);1H
InChIKey OGVPGOPARVFYJL-UHFFFAOYSA-N
Mol Weight 409.39 g/mol
Molecular Formula C19H25BrN2OS
Exact Mass 408.087098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22NqJVnWDEG
Name 1-(tert-butyl)-2-(4-methoxybenzyl)-3-phenylisothiouronium 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/C19H24N2OS.BrH/c1-19(2,3)21-18(20-16-8-6-5-7-9-16)23-14-15-10-12-17(22-4)13-11-15;/h5-13H,14H2,1-4H3,(H,20,21);1H
InChIKey OGVPGOPARVFYJL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13817
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: UZI/9315198; UBI_ID: UBI-013820
Temperature 313 °C