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2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID 3KDAkSJCDcU
InChI InChI=1S/C21H23ClN4OS/c1-4-15-9-6-8-14(3)19(15)23-18(27)13-28-21-25-24-20(26(21)5-2)16-10-7-11-17(22)12-16/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKey MRXOLQFKIRCQQP-UHFFFAOYSA-N
Mol Weight 414.96 g/mol
Molecular Formula C21H23ClN4OS
Exact Mass 414.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rzxYLP5zCJ
Name 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)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/C21H23ClN4OS/c1-4-15-9-6-8-14(3)19(15)23-18(27)13-28-21-25-24-20(26(21)5-2)16-10-7-11-17(22)12-16/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKey MRXOLQFKIRCQQP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11473
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: E06377; Labnumber: GRES-21658; SBI_ID: SBI-011476
Temperature 308 °C