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N-(3-chlorobenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID BBynVsm76FA
InChI InChI=1S/C12H16ClN5S.ClH/c1-18-12(15-16-17-18)19-7-3-6-14-9-10-4-2-5-11(13)8-10;/h2,4-5,8,14H,3,6-7,9H2,1H3;1H
InChIKey WMYWATYBSKOZQM-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 BAPPBm5DXcl
Name N-(3-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)19-7-3-6-14-9-10-4-2-5-11(13)8-10;/h2,4-5,8,14H,3,6-7,9H2,1H3;1H
InChIKey WMYWATYBSKOZQM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35385
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: E90956; SBI_ID: SBI-035389
Temperature 308 °C