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4-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID 8FxKKuWbRPI
InChI InChI=1S/C18H15ClN4S/c1-2-23-17(15-7-9-16(19)10-8-15)21-22-18(23)24-12-14-5-3-13(11-20)4-6-14/h3-10H,2,12H2,1H3
InChIKey KRBJECGCLMEFFZ-UHFFFAOYSA-N
Mol Weight 354.86 g/mol
Molecular Formula C18H15ClN4S
Exact Mass 354.070595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3DIXa8Ou9cB
Name 4-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
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/C18H15ClN4S/c1-2-23-17(15-7-9-16(19)10-8-15)21-22-18(23)24-12-14-5-3-13(11-20)4-6-14/h3-10H,2,12H2,1H3
InChIKey KRBJECGCLMEFFZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4836
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: E08221; Labnumber: GRES-36801; SBI_ID: SBI-004838
Temperature 315 °C