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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID GeHJ0QcD5tH
InChI InChI=1S/C20H21ClN4OS/c1-4-25-19(15-10-5-6-11-16(15)21)23-24-20(25)27-12-17(26)22-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey FMXSKZXYTLIALV-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 ETePJSblcci
Name 2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)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/c1-4-25-19(15-10-5-6-11-16(15)21)23-24-20(25)27-12-17(26)22-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey FMXSKZXYTLIALV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14345
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: D98230; Labnumber: GRES-17694; SBI_ID: SBI-014348
Temperature 308 °C