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N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanaminium chloride

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N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanaminium chloride
SpectraBase Compound ID KHYK7SHtkz2
InChI InChI=1S/C19H21N7OS.ClH/c1-24-16-9-8-14(12-17(16)25(2)19(24)27)13-20-10-11-28-18-21-22-23-26(18)15-6-4-3-5-7-15;/h3-9,12,20H,10-11,13H2,1-2H3;1H
InChIKey IESOWNYLWOIIQC-UHFFFAOYSA-N
Mol Weight 431.95 g/mol
Molecular Formula C19H22ClN7OS
Exact Mass 431.129507 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEZVTmosFmr
Name N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanaminium 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/C19H21N7OS.ClH/c1-24-16-9-8-14(12-17(16)25(2)19(24)27)13-20-10-11-28-18-21-22-23-26(18)15-6-4-3-5-7-15;/h3-9,12,20H,10-11,13H2,1-2H3;1H
InChIKey IESOWNYLWOIIQC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35350
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: E90919; SBI_ID: SBI-035354
Temperature 308 °C