| SpectraBase Spectrum ID |
7Ptji7MyCSr |
| Name |
benzoic acid, 4-[1-(4-chlorophenyl)-1,4-dihydro-6-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]-, 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 |
408.098918120 u |
| Formula |
C21H17ClN4O3 |
| InChI |
InChI=1S/C21H17ClN4O3/c1-3-29-21(28)14-4-8-16(9-5-14)25-13(2)24-19-18(20(25)27)12-23-26(19)17-10-6-15(22)7-11-17/h4-12H,3H2,1-2H3 |
| InChIKey |
RTNDKLOBRISSRU-UHFFFAOYSA-N |
| Molecular Weight |
408.845 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_348 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13238703 |
![benzoic acid, 4-[1-(4-chlorophenyl)-1,4-dihydro-6-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]-, ethyl ester](/api/spectrum/7Ptji7MyCSr/structure.png?h=300&w=458 "benzoic acid, 4-[1-(4-chlorophenyl)-1,4-dihydro-6-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]-, ethyl ester")
