| SpectraBase Spectrum ID |
7ecei4PbFH4 |
| Name |
4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.118081529 u |
| Formula |
C20H19F3N4O2S |
| InChI |
InChI=1S/C20H19F3N4O2S/c1-19(2,3)13-7-5-12(6-8-13)17-24-25-18(26(17)4)30-16-10-9-14(20(21,22)23)11-15(16)27(28)29/h5-11H,1-4H3 |
| InChIKey |
ADNGGXZQWACITM-UHFFFAOYSA-N |
| Molecular Weight |
436.453 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14072 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10300248; Lab Info: LP; Lab Number: LP-217751 |
![4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-](/api/spectrum/7ecei4PbFH4/structure.png?h=300&w=458 "4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-")
