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3-[(p-chlorobenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole

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3-[(p-chlorobenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole
SpectraBase Compound ID CfV7xoOWfDF
InChI InChI=1S/C27H33ClF3N3S/c1-2-3-4-5-6-7-8-9-10-15-25-32-33-26(35-20-21-16-18-22(28)19-17-21)34(25)24-14-12-11-13-23(24)27(29,30)31/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey LEZGQSVFUMXADZ-UHFFFAOYSA-N
Mol Weight 524.1 g/mol
Molecular Formula C27H33ClF3N3S
Exact Mass 523.203581 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzJSMfBRNDj
Name 3-[(p-chlorobenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33ClF3N3S
InChI InChI=1S/C27H33ClF3N3S/c1-2-3-4-5-6-7-8-9-10-15-25-32-33-26(35-20-21-16-18-22(28)19-17-21)34(25)24-14-12-11-13-23(24)27(29,30)31/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey LEZGQSVFUMXADZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 55464M
Solvent CDCl3