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2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

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2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SpectraBase Compound ID 3OAVORW33ga
InChI InChI=1S/C19H20F4N6OS/c1-3-28-15(9-29-14(18(22)23)8-13(27-29)17(20)21)25-26-19(28)31-10-16(30)24-12-7-5-4-6-11(12)2/h4-8,17-18H,3,9-10H2,1-2H3,(H,24,30)
InChIKey FANWXAFUGLJSFJ-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C19H20F4N6OS
Exact Mass 456.135543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ATha4wVvwQF
Name 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-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/C19H20F4N6OS/c1-3-28-15(9-29-14(18(22)23)8-13(27-29)17(20)21)25-26-19(28)31-10-16(30)24-12-7-5-4-6-11(12)2/h4-8,17-18H,3,9-10H2,1-2H3,(H,24,30)
InChIKey FANWXAFUGLJSFJ-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29782
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: 1266373; SBI_ID: SBI-029786
Temperature 303 °C