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N-(5-bromo-2-methoxybenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 4mFG9Krp45B
InChI InChI=1S/C13H18BrN5OS.ClH/c1-19-13(16-17-18-19)21-7-3-6-15-9-10-8-11(14)4-5-12(10)20-2;/h4-5,8,15H,3,6-7,9H2,1-2H3;1H
InChIKey LNQCOKOQIHJVOY-UHFFFAOYSA-N
Mol Weight 408.75 g/mol
Molecular Formula C13H19BrClN5OS
Exact Mass 407.018222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4iVT7QeQb5d
Name N-(5-bromo-2-methoxybenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium 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/C13H18BrN5OS.ClH/c1-19-13(16-17-18-19)21-7-3-6-15-9-10-8-11(14)4-5-12(10)20-2;/h4-5,8,15H,3,6-7,9H2,1-2H3;1H
InChIKey LNQCOKOQIHJVOY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35381
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: E90952; SBI_ID: SBI-035385
Temperature 308 °C