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2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID rfusyTiOit
InChI InChI=1S/C26H25ClN4O2S/c1-3-18-7-5-6-8-23(18)28-24(32)17-34-26-30-29-25(19-9-11-20(27)12-10-19)31(26)21-13-15-22(16-14-21)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,32)
InChIKey OOPLNVXSZCXXRC-UHFFFAOYSA-N
Mol Weight 493.03 g/mol
Molecular Formula C26H25ClN4O2S
Exact Mass 492.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlEmUf8a2qI
Name 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
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/C26H25ClN4O2S/c1-3-18-7-5-6-8-23(18)28-24(32)17-34-26-30-29-25(19-9-11-20(27)12-10-19)31(26)21-13-15-22(16-14-21)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,32)
InChIKey OOPLNVXSZCXXRC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4507
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: D99062; Labnumber: GRES-30871; SBI_ID: SBI-004509
Temperature 315 °C