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N-(2-methylbenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 7kAeE1Qf5ic
InChI InChI=1S/C13H19N5S.ClH/c1-11-6-3-4-7-12(11)10-14-8-5-9-19-13-15-16-17-18(13)2;/h3-4,6-7,14H,5,8-10H2,1-2H3;1H
InChIKey JKWVYKZSBMIUPK-UHFFFAOYSA-N
Mol Weight 313.85 g/mol
Molecular Formula C13H20ClN5S
Exact Mass 313.112795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AdmNyPF2IHY
Name N-(2-methylbenzyl)-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/C13H19N5S.ClH/c1-11-6-3-4-7-12(11)10-14-8-5-9-19-13-15-16-17-18(13)2;/h3-4,6-7,14H,5,8-10H2,1-2H3;1H
InChIKey JKWVYKZSBMIUPK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35387
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: E90958; SBI_ID: SBI-035391
Temperature 308 °C