SpectraBase Spectrum ID |
Ga3IY4ZeD9b |
Name |
1H-pyrazole-4-carboxylic acid, 5-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-1-phenyl-, ethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
542.073943628 u |
Formula |
C24H17ClF2N6O3S |
InChI |
InChI=1S/C24H17ClF2N6O3S/c1-2-36-23(35)15-13-28-32(14-7-4-3-5-8-14)21(15)30-22(34)17-12-20-29-16(18-9-6-10-37-18)11-19(24(25,26)27)33(20)31-17/h3-13H,2H2,1H3,(H,30,34) |
InChIKey |
HJSKVKWPSZJROK-UHFFFAOYSA-N |
Molecular Weight |
542.949 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_18311 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11250905; Lab Info: DAL; Lab Number: DAL-idk0447 |