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2-(4-butoxy-3-chlorobenzyl)isothiouronium chloride

View entire compound with spectra: 1 NMR

2-(4-butoxy-3-chlorobenzyl)isothiouronium chloride
SpectraBase Compound ID LS8uVHaytp5
InChI InChI=1S/C12H17ClN2OS.ClH/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15;/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15);1H
InChIKey PBYPMIYXQVBEMV-UHFFFAOYSA-N
Mol Weight 309.25 g/mol
Molecular Formula C12H18Cl2N2OS
Exact Mass 308.05169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bi5A1meB8i7
Name 2-(4-butoxy-3-chlorobenzyl)isothiouronium chloride
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/C12H17ClN2OS.ClH/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15;/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15);1H
InChIKey PBYPMIYXQVBEMV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12557
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: 100397; Labnumber: LAM-043; VK_ID: VK-012562
Temperature 308 °C