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N-(3-methoxybenzyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID B8VJXonD2Qz
InChI InChI=1S/C18H21N5OS.ClH/c1-24-17-10-5-7-15(13-17)14-19-11-6-12-25-18-20-21-22-23(18)16-8-3-2-4-9-16;/h2-5,7-10,13,19H,6,11-12,14H2,1H3;1H
InChIKey UEEWXNGYYACGLW-UHFFFAOYSA-N
Mol Weight 391.92 g/mol
Molecular Formula C18H22ClN5OS
Exact Mass 391.123359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XpB959hfgv
Name N-(3-methoxybenzyl)-3-[(1-phenyl-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/C18H21N5OS.ClH/c1-24-17-10-5-7-15(13-17)14-19-11-6-12-25-18-20-21-22-23(18)16-8-3-2-4-9-16;/h2-5,7-10,13,19H,6,11-12,14H2,1H3;1H
InChIKey UEEWXNGYYACGLW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35368
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: E90937; SBI_ID: SBI-035372
Temperature 308 °C