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2-(3-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propyl)isothiouronium chloride

View entire compound with spectra: 1 NMR

2-(3-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propyl)isothiouronium chloride
SpectraBase Compound ID D99DNciMtTa
InChI InChI=1S/C18H30N2OS.ClH/c1-17(2,3)13-18(4,5)14-7-9-15(10-8-14)21-11-6-12-22-16(19)20;/h7-10H,6,11-13H2,1-5H3,(H3,19,20);1H
InChIKey RSIADNVMMJQNDZ-UHFFFAOYSA-N
Mol Weight 358.97 g/mol
Molecular Formula C18H31ClN2OS
Exact Mass 358.184562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IuXSIiPp8SE
Name 2-(3-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propyl)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/C18H30N2OS.ClH/c1-17(2,3)13-18(4,5)14-7-9-15(10-8-14)21-11-6-12-22-16(19)20;/h7-10H,6,11-13H2,1-5H3,(H3,19,20);1H
InChIKey RSIADNVMMJQNDZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6442
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: NMR/18251496; Labnumber: L17-0000036