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N-(4-chlorobenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID JzZ7PAlAvUj
InChI InChI=1S/C12H16ClN5S.ClH/c1-18-12(15-16-17-18)19-8-2-7-14-9-10-3-5-11(13)6-4-10;/h3-6,14H,2,7-9H2,1H3;1H
InChIKey DVDSQKJSBPAPOV-UHFFFAOYSA-N
Mol Weight 334.27 g/mol
Molecular Formula C12H17Cl2N5S
Exact Mass 333.058172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9JUmlfI43F
Name N-(4-chlorobenzyl)-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/C12H16ClN5S.ClH/c1-18-12(15-16-17-18)19-8-2-7-14-9-10-3-5-11(13)6-4-10;/h3-6,14H,2,7-9H2,1H3;1H
InChIKey DVDSQKJSBPAPOV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35374
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: E90943; SBI_ID: SBI-035378
Temperature 308 °C