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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID 4iXIFBUQbuH
InChI InChI=1S/C20H21ClN4OS/c1-3-14-9-5-8-12-17(14)22-18(26)13-27-20-24-23-19(25(20)4-2)15-10-6-7-11-16(15)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKey HCNCXMMKKUDYDP-UHFFFAOYSA-N
Mol Weight 400.93 g/mol
Molecular Formula C20H21ClN4OS
Exact Mass 400.11246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4UqSEeYjM7z
Name 2-{[5-(2-chlorophenyl)-4-ethyl-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/C20H21ClN4OS/c1-3-14-9-5-8-12-17(14)22-18(26)13-27-20-24-23-19(25(20)4-2)15-10-6-7-11-16(15)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKey HCNCXMMKKUDYDP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14260
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: D98020; Labnumber: GRES-14472; SBI_ID: SBI-014263
Temperature 308 °C