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N-{3-bromo-4-[(3-chloro-6-oxo-1-phenyl-1,6-dihydro-4-pyridazinyl)oxy]-5-methoxybenzyl}-1-heptanaminium chloride
SpectraBase Compound ID E8LbBezx3WB
InChI InChI=1S/C25H29BrClN3O3.ClH/c1-3-4-5-6-10-13-28-17-18-14-20(26)24(21(15-18)32-2)33-22-16-23(31)30(29-25(22)27)19-11-8-7-9-12-19;/h7-9,11-12,14-16,28H,3-6,10,13,17H2,1-2H3;1H
InChIKey BBSVLRWLVWOWRU-UHFFFAOYSA-N
Mol Weight 571.34 g/mol
Molecular Formula C25H30BrCl2N3O3
Exact Mass 569.08476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ar52g0LXMfm
Name N-{3-bromo-4-[(3-chloro-6-oxo-1-phenyl-1,6-dihydro-4-pyridazinyl)oxy]-5-methoxybenzyl}-1-heptanaminium 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/C25H29BrClN3O3.ClH/c1-3-4-5-6-10-13-28-17-18-14-20(26)24(21(15-18)32-2)33-22-16-23(31)30(29-25(22)27)19-11-8-7-9-12-19;/h7-9,11-12,14-16,28H,3-6,10,13,17H2,1-2H3;1H
InChIKey BBSVLRWLVWOWRU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31615
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: 1843097; SBI_ID: SBI-031619
Temperature 308 °C