| SpectraBase Spectrum ID |
KG8RTc0iP6 |
| Name |
ethyl 2-[(3-chlorobenzyl)sulfanyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.123024869 u |
| Formula |
C23H23ClN4O2S |
| InChI |
InChI=1S/C23H23ClN4O2S/c1-4-30-21(29)19-15(3)25-22-26-23(31-13-16-6-5-7-18(24)12-16)27-28(22)20(19)17-10-8-14(2)9-11-17/h5-12,20H,4,13H2,1-3H3,(H,25,26,27) |
| InChIKey |
LJAYEFSMHFOKIQ-UHFFFAOYSA-N |
| Molecular Weight |
454.976 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9923 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13238080 |
![ethyl 2-[(3-chlorobenzyl)sulfanyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate](/api/spectrum/KG8RTc0iP6/structure.png?h=300&w=458 "ethyl 2-[(3-chlorobenzyl)sulfanyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate")
