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

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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 Hs24yOodqBF
Name 2-({[2-(6-ethoxy-6-oxohexanoyl)-4-oxocyclopent-1-en-1-yl]methyl}sulfanyl)propan-2-ylium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.097204042 u
Formula C13H21ClN4O4S
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
Molecular Weight 364.848 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7837
Solvent DMSO-d6
Source Vendor ID: NMR/13218604