| SpectraBase Spectrum ID |
CRnUP1itjTI |
| Name |
benzoic acid, 4-chloro-, 4-(6-amino-5-cyano-1,4-dihydro-3-methylpyrano[2,3-c]pyrazol-4-yl)phenyl 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 |
406.083268056 u |
| Formula |
C21H15ClN4O3 |
| InChI |
InChI=1S/C21H15ClN4O3/c1-11-17-18(16(10-23)19(24)29-20(17)26-25-11)12-4-8-15(9-5-12)28-21(27)13-2-6-14(22)7-3-13/h2-9,18H,24H2,1H3,(H,25,26) |
| InChIKey |
ZXYZULYMPJSYEO-UHFFFAOYSA-N |
| Molecular Weight |
406.829 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7673 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9313512; Lab Info: VUR; Lab Number: VUR-0000909 |
| Temperature |
29.85 °C |
![benzoic acid, 4-chloro-, 4-(6-amino-5-cyano-1,4-dihydro-3-methylpyrano[2,3-c]pyrazol-4-yl)phenyl ester](/api/spectrum/CRnUP1itjTI/structure.png?h=300&w=458 "benzoic acid, 4-chloro-, 4-(6-amino-5-cyano-1,4-dihydro-3-methylpyrano[2,3-c]pyrazol-4-yl)phenyl ester")
