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N-(2-methylbenzyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 1XAGO6ZGblQ
InChI InChI=1S/C18H21N5S.ClH/c1-15-8-5-6-9-16(15)14-19-12-7-13-24-18-20-21-22-23(18)17-10-3-2-4-11-17;/h2-6,8-11,19H,7,12-14H2,1H3;1H
InChIKey CPOJQEVSNLEJDY-UHFFFAOYSA-N
Mol Weight 375.92 g/mol
Molecular Formula C18H22ClN5S
Exact Mass 375.128445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2qFCL5Rn2NE
Name N-(2-methylbenzyl)-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/C18H21N5S.ClH/c1-15-8-5-6-9-16(15)14-19-12-7-13-24-18-20-21-22-23(18)17-10-3-2-4-11-17;/h2-6,8-11,19H,7,12-14H2,1H3;1H
InChIKey CPOJQEVSNLEJDY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35373
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: E90942; SBI_ID: SBI-035377
Temperature 308 °C