| SpectraBase Spectrum ID |
4lcw5oKAxRG |
| Name |
7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-[[4-(1,1-dimethylethyl)phenoxy]methyl]-6-(3-nitrophenyl)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.136510727 u |
| Formula |
C21H21N5O3S |
| InChI |
InChI=1S/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11H,12-13H2,1-3H3 |
| InChIKey |
PISKMFHQKAUFSR-UHFFFAOYSA-N |
| Molecular Weight |
423.491 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6169 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11221906; Lab Info: DEM; Lab Number: 0875 |
![3-(4-tert-butyl-phenoxymethyl)-6-(3-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/4lcw5oKAxRG/structure.png?h=300&w=458 "3-(4-tert-butyl-phenoxymethyl)-6-(3-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine")
