| SpectraBase Spectrum ID |
Aq1ZzSQCqmc |
| Name |
benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl 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 |
381.148869676 u |
| Formula |
C21H20FN3O3 |
| InChI |
InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3/b17-13- |
| InChIKey |
JTGSUXKEJBVPKB-LGMDPLHJSA-N |
| Molecular Weight |
381.407 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13970 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10300864; Lab Info: PRE; Lab Number: PRE-P000023 |
![benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl ester](/api/spectrum/Aq1ZzSQCqmc/structure.png?h=300&w=458 "benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl ester")
