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N-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methyl}-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID KTA8a8vXi9M
InChI InChI=1S/C16H17ClFN5OS.ClH/c1-23-16(20-21-22-23)25-8-2-7-19-10-12-4-6-15(24-12)11-3-5-14(18)13(17)9-11;/h3-6,9,19H,2,7-8,10H2,1H3;1H
InChIKey VHEQTHYSMBFDPX-UHFFFAOYSA-N
Mol Weight 418.32 g/mol
Molecular Formula C16H18Cl2FN5OS
Exact Mass 417.059315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F6W0HMOQBY5
Name N-{[5-(3-chloro-4-fluorophenyl)-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/C16H17ClFN5OS.ClH/c1-23-16(20-21-22-23)25-8-2-7-19-10-12-4-6-15(24-12)11-3-5-14(18)13(17)9-11;/h3-6,9,19H,2,7-8,10H2,1H3;1H
InChIKey VHEQTHYSMBFDPX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35400
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: E90971; SBI_ID: SBI-035404
Temperature 308 °C