| SpectraBase Spectrum ID |
JGAsJFZWDto |
| Name |
ethyl 2-[(3-chlorobenzyl)sulfanyl]-7-(4-fluorophenyl)-5-methyl-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 |
458.097952935 u |
| Formula |
C22H20ClFN4O2S |
| InChI |
InChI=1S/C22H20ClFN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-14-5-4-6-16(23)11-14)27-28(21)19(18)15-7-9-17(24)10-8-15/h4-11,19H,3,12H2,1-2H3,(H,25,26,27) |
| InChIKey |
RXQPSDWTIWSLOH-UHFFFAOYSA-N |
| Molecular Weight |
458.939 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_6828 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12329255 |
![ethyl 2-[(3-chlorobenzyl)sulfanyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate](/api/spectrum/JGAsJFZWDto/structure.png?h=300&w=458 "ethyl 2-[(3-chlorobenzyl)sulfanyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate")
