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N-{[5-(4-chlorophenyl)-2-furyl]methyl}-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID BtESkHEWhTE
InChI InChI=1S/C16H18ClN5OS.ClH/c1-22-16(19-20-21-22)24-10-2-9-18-11-14-7-8-15(23-14)12-3-5-13(17)6-4-12;/h3-8,18H,2,9-11H2,1H3;1H
InChIKey JVJNWPSIUNXNSM-UHFFFAOYSA-N
Mol Weight 400.33 g/mol
Molecular Formula C16H19Cl2N5OS
Exact Mass 399.068737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DO677fId5cU
Name N-{[5-(4-chlorophenyl)-2-furyl]methyl}-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/C16H18ClN5OS.ClH/c1-22-16(19-20-21-22)24-10-2-9-18-11-14-7-8-15(23-14)12-3-5-13(17)6-4-12;/h3-8,18H,2,9-11H2,1H3;1H
InChIKey JVJNWPSIUNXNSM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35393
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: E90964; SBI_ID: SBI-035397
Temperature 308 °C