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N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 4JDKTPbyH3X
InChI InChI=1S/C18H19N5O2S.ClH/c1-2-5-15(6-3-1)23-18(20-21-22-23)26-10-4-9-19-12-14-7-8-16-17(11-14)25-13-24-16;/h1-3,5-8,11,19H,4,9-10,12-13H2;1H
InChIKey IGGKQSLAMVRPJD-UHFFFAOYSA-N
Mol Weight 405.9 g/mol
Molecular Formula C18H20ClN5O2S
Exact Mass 405.102624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ONiBgu80Qm
Name N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-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/C18H19N5O2S.ClH/c1-2-5-15(6-3-1)23-18(20-21-22-23)26-10-4-9-19-12-14-7-8-16-17(11-14)25-13-24-16;/h1-3,5-8,11,19H,4,9-10,12-13H2;1H
InChIKey IGGKQSLAMVRPJD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35361
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: E90930; SBI_ID: SBI-035365
Temperature 308 °C