SpectraBase Spectrum ID |
LmshrhhRum9 |
Name |
2-[(4-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
539.074965020 u |
Formula |
C26H20Cl2FN5OS |
InChI |
InChI=1S/C26H20Cl2FN5OS/c1-15-22(24(35)31-19-12-10-18(28)11-13-19)23(20-4-2-3-5-21(20)29)34-25(30-15)32-26(33-34)36-14-16-6-8-17(27)9-7-16/h2-13,23H,14H2,1H3,(H,31,35)(H,30,32,33) |
InChIKey |
FOQPGKPOHCMWOP-UHFFFAOYSA-N |
Molecular Weight |
540.444 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_6690 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12329006 |