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N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 4BqltxUnhzA
InChI InChI=1S/C13H17N5O2S.ClH/c1-18-13(15-16-17-18)21-6-2-5-14-8-10-3-4-11-12(7-10)20-9-19-11;/h3-4,7,14H,2,5-6,8-9H2,1H3;1H
InChIKey FAJQRDDXUADHMB-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C13H18ClN5O2S
Exact Mass 343.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HJloVGPObdU
Name N-(1,3-benzodioxol-5-ylmethyl)-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/C13H17N5O2S.ClH/c1-18-13(15-16-17-18)21-6-2-5-14-8-10-3-4-11-12(7-10)20-9-19-11;/h3-4,7,14H,2,5-6,8-9H2,1H3;1H
InChIKey FAJQRDDXUADHMB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35375
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: E90944; SBI_ID: SBI-035379
Temperature 308 °C