| SpectraBase Spectrum ID |
Hx3wVy38TTF |
| Name |
4-({[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H22N4S/c1-21(2,3)18-11-9-17(10-12-18)19-23-24-20(25(19)4)26-14-16-7-5-15(13-22)6-8-16/h5-12H,14H2,1-4H3 |
| InChIKey |
KXGQDPKMVGNQIU-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_14396 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D98375; Labnumber: GRES-20048; SBI_ID: SBI-014399 |
| Temperature |
308 °C |
![4-({[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile](/api/spectrum/Hx3wVy38TTF/structure.png?h=300&w=458 "4-({[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile")
