SpectraBase Spectrum ID |
Kk54suJoO3P |
Name |
3-thiophenecarboxylic acid, 2-[[[7-(chlorodifluoromethyl)-5-(2-furanyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5-dimethyl-, 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 |
494.062710239 u |
Formula |
C21H17ClF2N4O4S |
InChI |
InChI=1S/C21H17ClF2N4O4S/c1-4-31-20(30)17-10(2)11(3)33-19(17)26-18(29)13-9-16-25-12(14-6-5-7-32-14)8-15(21(22,23)24)28(16)27-13/h5-9H,4H2,1-3H3,(H,26,29) |
InChIKey |
DUJMTRRIHBTSDH-UHFFFAOYSA-N |
Molecular Weight |
494.901 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_18285 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11250872; Lab Info: DAL; Lab Number: DAL-idk0208 |