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4-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
SpectraBase Compound ID I3wfcL2SmO4
InChI InChI=1S/C20H20N4OS/c1-3-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-17-8-6-16(12-21)7-9-17/h4-11H,3,13-14H2,1-2H3
InChIKey SZAKWCMAJDDKGG-UHFFFAOYSA-N
Mol Weight 364.47 g/mol
Molecular Formula C20H20N4OS
Exact Mass 364.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Irqk6FGqIk3
Name 4-[({4-ethyl-5-[(4-methylphenoxy)methyl]-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/C20H20N4OS/c1-3-24-19(13-25-18-10-4-15(2)5-11-18)22-23-20(24)26-14-17-8-6-16(12-21)7-9-17/h4-11H,3,13-14H2,1-2H3
InChIKey SZAKWCMAJDDKGG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11286
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: E06586; Labnumber: GRES-25376; SBI_ID: SBI-011289
Temperature 308 °C