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4H-1,2,4-triazole-4-propanol, 3-[[(2-chlorophenyl)methyl]thio]-5-(3-pyridinyl)-
SpectraBase Compound ID JPfVhhJ8u1B
InChI InChI=1S/C17H17ClN4OS/c18-15-7-2-1-5-14(15)12-24-17-21-20-16(22(17)9-4-10-23)13-6-3-8-19-11-13/h1-3,5-8,11,23H,4,9-10,12H2
InChIKey KOTIHFJVWQHZQM-UHFFFAOYSA-N
Mol Weight 360.86 g/mol
Molecular Formula C17H17ClN4OS
Exact Mass 360.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F0i4ia9SLIC
Name 4H-1,2,4-triazole-4-propanol, 3-[[(2-chlorophenyl)methyl]thio]-5-(3-pyridinyl)-
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/C17H17ClN4OS/c18-15-7-2-1-5-14(15)12-24-17-21-20-16(22(17)9-4-10-23)13-6-3-8-19-11-13/h1-3,5-8,11,23H,4,9-10,12H2
InChIKey KOTIHFJVWQHZQM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10037
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: F36605; Labnumber: BAL5-1894