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2-((5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl)methyl)isothiouronium chloride

View entire compound with spectra: 2 NMR

2-((5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl)methyl)isothiouronium chloride
SpectraBase Compound ID DFxfW2Lrn0p
InChI InChI=1S/C13H20N4O4S.ClH/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11;/h2-7H2,1H3,(H3,14,15)(H2,16,17,20);1H
InChIKey OWZWNHXDXMJMIH-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C13H21ClN4O4S
Exact Mass 364.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JsSokN20Wkn
Name 2-((5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl)methyl)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/C13H20N4O4S.ClH/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11;/h2-7H2,1H3,(H3,14,15)(H2,16,17,20);1H
InChIKey OWZWNHXDXMJMIH-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8573
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/9685673; Labnumber: DGP-nal2/0128; UZI_ID: UZI-008575
Temperature 308 °C