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1-{[2-(diethylammonio)ethyl]amino}isoquinolinium dibromide
SpectraBase Compound ID 5TW9s73r9Xy
InChI InChI=1S/C15H21N3.2BrH/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15;;/h5-10H,3-4,11-12H2,1-2H3,(H,16,17);2*1H
InChIKey SBMLBQIBBRJTQQ-UHFFFAOYSA-N
Mol Weight 405.178 g/mol
Molecular Formula C15H23Br2N3
Exact Mass 403.025874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBWyWbzt4gf
Name 1-{[2-(diethylammonio)ethyl]amino}isoquinolinium dibromide
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/C15H21N3.2BrH/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15;;/h5-10H,3-4,11-12H2,1-2H3,(H,16,17);2*1H
InChIKey SBMLBQIBBRJTQQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15580
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: 987/00002247; Labnumber: 987/00002247218826; VK_ID: VK-015585
Temperature 308 °C