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4-({[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID 3k3Rs1iXNbp
InChI InChI=1S/C21H15ClN4OS/c22-19-6-2-1-5-18(19)20-24-25-21(26(20)13-17-4-3-11-27-17)28-14-16-9-7-15(12-23)8-10-16/h1-11H,13-14H2
InChIKey YIQAEJAKTGDIIM-UHFFFAOYSA-N
Mol Weight 406.89 g/mol
Molecular Formula C21H15ClN4OS
Exact Mass 406.06551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FDkmZ3Oeixv
Name 4-({[5-(2-chlorophenyl)-4-(2-furylmethyl)-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/C21H15ClN4OS/c22-19-6-2-1-5-18(19)20-24-25-21(26(20)13-17-4-3-11-27-17)28-14-16-9-7-15(12-23)8-10-16/h1-11H,13-14H2
InChIKey YIQAEJAKTGDIIM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4398
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: D98945; Labnumber: GRES-28864; SBI_ID: SBI-004400
Temperature 306 °C