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4-(6-chloro-3-pyridazinyl)-1,4-diazepan-1-ium chloride
SpectraBase Compound ID G01Cwq3nxEW
InChI InChI=1S/C9H13ClN4.ClH/c10-8-2-3-9(13-12-8)14-6-1-4-11-5-7-14;/h2-3,11H,1,4-7H2;1H
InChIKey PHFUCMDTUDKBLB-UHFFFAOYSA-N
Mol Weight 249.14 g/mol
Molecular Formula C9H14Cl2N4
Exact Mass 248.059552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DhsQQLymtji
Name 4-(6-chloro-3-pyridazinyl)-1,4-diazepan-1-ium 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 248.059551867 u
Formula C9H14Cl2N4
InChI InChI=1S/C9H13ClN4.ClH/c10-8-2-3-9(13-12-8)14-6-1-4-11-5-7-14;/h2-3,11H,1,4-7H2;1H
InChIKey PHFUCMDTUDKBLB-UHFFFAOYSA-N
Molecular Weight 249.145 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8878
Solvent DMSO-d6
Source Vendor ID: NMR/12668705
Temperature 29.85 °C