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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID Dxt1YjSVr0c
InChI InChI=1S/C22H25ClN4O2S/c1-4-16-8-6-7-15(3)21(16)24-20(28)14-30-22-26-25-19(27(22)5-2)13-29-18-11-9-17(23)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)
InChIKey OILUIMLJMVZBAG-UHFFFAOYSA-N
Mol Weight 444.98 g/mol
Molecular Formula C22H25ClN4O2S
Exact Mass 444.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AyhGNwjSSBg
Name 2-({5-[(4-chlorophenoxy)methyl]-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/C22H25ClN4O2S/c1-4-16-8-6-7-15(3)21(16)24-20(28)14-30-22-26-25-19(27(22)5-2)13-29-18-11-9-17(23)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)
InChIKey OILUIMLJMVZBAG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11242
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: E06526; Labnumber: GRES-24101; SBI_ID: SBI-011245
Temperature 315 °C