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N-(2-fluorobenzyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID jOkdGKlBmN
InChI InChI=1S/C12H16FN5S.ClH/c1-18-12(15-16-17-18)19-8-4-7-14-9-10-5-2-3-6-11(10)13;/h2-3,5-6,14H,4,7-9H2,1H3;1H
InChIKey JREOSZMLYZJGLP-UHFFFAOYSA-N
Mol Weight 317.81 g/mol
Molecular Formula C12H17ClFN5S
Exact Mass 317.087723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KQ3qXpt8We2
Name N-(2-fluorobenzyl)-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/C12H16FN5S.ClH/c1-18-12(15-16-17-18)19-8-4-7-14-9-10-5-2-3-6-11(10)13;/h2-3,5-6,14H,4,7-9H2,1H3;1H
InChIKey JREOSZMLYZJGLP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35386
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: E90957; SBI_ID: SBI-035390
Temperature 308 °C