For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 FTIR

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5RuaDUFQv0
Name 4-(4-CHLORO-2,5-DIMETHOXYPHENYL)-5-[(2,3,4,5,6-PENTAMETHYLBENZYL)THIO]-4H-1,2,4-TRIAZOLE-3-ACETONITRILE, MONOHYDROCHLORIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 2563
Copyright Copyright © 1980, 1981-2024 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
Melting Point 106-108C
Molecular Weight 507.473999
Synonyms TRIAZOLE-3-ACETONITRILE, 4H-1,2,4-, 4-/4-CHLORO-2,5-DIMETHOXYPHENYL/- 5-//2,3,4,5,6-PENTAMETHYLBENZYL/THIO/-, MONOHYDROCHLORIDE
Technique KBr WAFER