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4'-chloro-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide

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4'-chloro-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID AzanGZd5C2u
InChI InChI=1S/C28H34ClF3N4OS/c1-2-3-4-5-6-7-8-9-10-15-25-34-35-27(36(25)24-14-12-11-13-23(24)28(30,31)32)38-20-26(37)33-22-18-16-21(29)17-19-22/h11-14,16-19H,2-10,15,20H2,1H3,(H,33,37)
InChIKey VPMAKVHMJICXCL-UHFFFAOYSA-N
Mol Weight 567.1 g/mol
Molecular Formula C28H34ClF3N4OS
Exact Mass 566.209395 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cn1jgImL2Mu
Name 4'-chloro-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34ClF3N4OS
InChI InChI=1S/C28H34ClF3N4OS/c1-2-3-4-5-6-7-8-9-10-15-25-34-35-27(36(25)24-14-12-11-13-23(24)28(30,31)32)38-20-26(37)33-22-18-16-21(29)17-19-22/h11-14,16-19H,2-10,15,20H2,1H3,(H,33,37)
InChIKey VPMAKVHMJICXCL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59079M
Solvent CDCl3