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5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride

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5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride
SpectraBase Compound ID 6kVcqyRfAoP
InChI InChI=1S/C23H23F3N4S.ClH/c1-13-14(2)16(4)20(17(5)15(13)3)12-31-22-29-28-21(9-10-27)30(22)19-8-6-7-18(11-19)23(24,25)26;/h6-8,11H,9,12H2,1-5H3;1H
InChIKey DSTHFAHMMWFOCB-UHFFFAOYSA-N
Mol Weight 480.98 g/mol
Molecular Formula C23H24ClF3N4S
Exact Mass 480.13623 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NaLZz6AOhc
Name 5-[(2,3,4,5,6-pentamethylbenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride
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Formula C23H24ClF3N4S
InChI InChI=1S/C23H23F3N4S.ClH/c1-13-14(2)16(4)20(17(5)15(13)3)12-31-22-29-28-21(9-10-27)30(22)19-8-6-7-18(11-19)23(24,25)26;/h6-8,11H,9,12H2,1-5H3;1H
InChIKey DSTHFAHMMWFOCB-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 24868M
Solvent DMSO-d6