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4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2,3,4,5,6-pentamethylbenzyl)-thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride

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4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2,3,4,5,6-pentamethylbenzyl)-thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride
SpectraBase Compound ID 7ftJIJJ1yP7
InChI InChI=1S/C24H27ClN4O2S.ClH/c1-13-14(2)16(4)18(17(5)15(13)3)12-32-24-28-27-23(8-9-26)29(24)20-11-21(30-6)19(25)10-22(20)31-7;/h10-11H,8,12H2,1-7H3;1H
InChIKey ILGKIXQACHLLKX-UHFFFAOYSA-N
Mol Weight 507.48 g/mol
Molecular Formula C24H28Cl2N4O2S
Exact Mass 506.131003 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16ZzarNciGU
Name 4-(4-chloro-2,5-dimethoxyphenyl)-5-[(2,3,4,5,6-pentamethylbenzyl)-thio]-4H-1,2,4-triazole-3-acetonitrile, monohydrochloride
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28Cl2N4O2S
InChI InChI=1S/C24H27ClN4O2S.ClH/c1-13-14(2)16(4)18(17(5)15(13)3)12-32-24-28-27-23(8-9-26)29(24)20-11-21(30-6)19(25)10-22(20)31-7;/h10-11H,8,12H2,1-7H3;1H
InChIKey ILGKIXQACHLLKX-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 26589M
Solvent Polysol-d