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(3E)-1,1-dichloro-3-{1-[(6-chloro-3-pyridinyl)methyl]-2-imidazolidinylidene}-N-(2-methoxyethyl)-N-methyl-3-nitro-1-propen-2-amine
SpectraBase Compound ID 6zkH4b37WTI
InChI InChI=1S/C16H20Cl3N5O3/c1-22(7-8-27-2)13(15(18)19)14(24(25)26)16-20-5-6-23(16)10-11-3-4-12(17)21-9-11/h3-4,9,20H,5-8,10H2,1-2H3/b16-14+
InChIKey QHCROXTZWWIPRP-JQIJEIRASA-N
Mol Weight 436.73 g/mol
Molecular Formula C16H20Cl3N5O3
Exact Mass 435.063173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IA7AshWIFbp
Name (3E)-1,1-dichloro-3-{1-[(6-chloro-3-pyridinyl)methyl]-2-imidazolidinylidene}-N-(2-methoxyethyl)-N-methyl-3-nitro-1-propen-2-amine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.063172621 u
Formula C16H20Cl3N5O3
InChI InChI=1S/C16H20Cl3N5O3/c1-22(7-8-27-2)13(15(18)19)14(24(25)26)16-20-5-6-23(16)10-11-3-4-12(17)21-9-11/h3-4,9,20H,5-8,10H2,1-2H3/b16-14+
InChIKey QHCROXTZWWIPRP-JQIJEIRASA-N
Molecular Weight 436.727 g/mol
NMR Offset 17.9889
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4202
Solvent DMSO-d6
Source Vendor ID: NMR/12308862