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

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3-[(p-methylbenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole
SpectraBase Compound ID H9a9p28HPOe
InChI InChI=1S/C28H36F3N3S/c1-3-4-5-6-7-8-9-10-11-16-26-32-33-27(35-21-23-19-17-22(2)18-20-23)34(26)25-15-13-12-14-24(25)28(29,30)31/h12-15,17-20H,3-11,16,21H2,1-2H3
InChIKey RBYRLNFAFAHFKK-UHFFFAOYSA-N
Mol Weight 503.7 g/mol
Molecular Formula C28H36F3N3S
Exact Mass 503.258204 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGcqCUWLHHT
Name 3-[(p-methylbenzyl)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 C28H36F3N3S
InChI InChI=1S/C28H36F3N3S/c1-3-4-5-6-7-8-9-10-11-16-26-32-33-27(35-21-23-19-17-22(2)18-20-23)34(26)25-15-13-12-14-24(25)28(29,30)31/h12-15,17-20H,3-11,16,21H2,1-2H3
InChIKey RBYRLNFAFAHFKK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 55463M
Solvent CDCl3