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

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3',5'-dichloro-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID ErTee1sqziG
InChI InChI=1S/C28H33Cl2F3N4OS/c1-2-3-4-5-6-7-8-9-10-15-25-35-36-27(37(25)24-14-12-11-13-23(24)28(31,32)33)39-19-26(38)34-22-17-20(29)16-21(30)18-22/h11-14,16-18H,2-10,15,19H2,1H3,(H,34,38)
InChIKey NFPSXVULWUPHAH-UHFFFAOYSA-N
Mol Weight 601.6 g/mol
Molecular Formula C28H33Cl2F3N4OS
Exact Mass 600.170423 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkiA2WU67zI
Name 3',5'-dichloro-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 C28H33Cl2F3N4OS
InChI InChI=1S/C28H33Cl2F3N4OS/c1-2-3-4-5-6-7-8-9-10-15-25-35-36-27(37(25)24-14-12-11-13-23(24)28(31,32)33)39-19-26(38)34-22-17-20(29)16-21(30)18-22/h11-14,16-18H,2-10,15,19H2,1H3,(H,34,38)
InChIKey NFPSXVULWUPHAH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59081M
Solvent CDCl3