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1-{3-[(dichloroacetyl)amino]propyl}-3-methyl-1H-imidazol-3-ium iodide
SpectraBase Compound ID LeWDwjKuMWa
InChI InChI=1S/C9H13Cl2N3O.HI/c1-13-5-6-14(7-13)4-2-3-12-9(15)8(10)11;/h5-8H,2-4H2,1H3;1H
InChIKey JJCQKNITQLQMHI-UHFFFAOYSA-N
Mol Weight 378.04 g/mol
Molecular Formula C9H14Cl2IN3O
Exact Mass 376.955862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H95KGBrUs3q
Name 1-{3-[(dichloroacetyl)amino]propyl}-3-methyl-1H-imidazol-3-ium iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.955862482 u
Formula C9H14Cl2IN3O
InChI InChI=1S/C9H13Cl2N3O.HI/c1-13-5-6-14(7-13)4-2-3-12-9(15)8(10)11;/h5-8H,2-4H2,1H3;1H
InChIKey JJCQKNITQLQMHI-UHFFFAOYSA-N
Molecular Weight 378.041 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8778
Solvent DMSO-d6
Source Vendor ID: NMR/13228060