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4-({[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID BQFVo1ld4Ln
InChI InChI=1S/C21H16N4OS/c22-13-16-8-10-17(11-9-16)15-27-21-24-23-20(18-5-2-1-3-6-18)25(21)14-19-7-4-12-26-19/h1-12H,14-15H2
InChIKey QDHLIXZMTXHRFF-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C21H16N4OS
Exact Mass 372.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7m4hEh3D0uz
Name 4-({[4-(2-furylmethyl)-5-phenyl-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/C21H16N4OS/c22-13-16-8-10-17(11-9-16)15-27-21-24-23-20(18-5-2-1-3-6-18)25(21)14-19-7-4-12-26-19/h1-12H,14-15H2
InChIKey QDHLIXZMTXHRFF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14600
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: D98758; Labnumber: GRES-25896; SBI_ID: SBI-014603
Temperature 318 °C