| SpectraBase Spectrum ID |
FEeIgYpXMm2 |
| Name |
4-[(4Z)-4-(4-isobutoxy-3-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.140256268 u |
| Formula |
C23H21F3N2O5 |
| InChI |
InChI=1S/C23H21F3N2O5/c1-13(2)12-33-18-9-4-14(11-19(18)32-3)10-17-20(23(24,25)26)27-28(21(17)29)16-7-5-15(6-8-16)22(30)31/h4-11,13H,12H2,1-3H3,(H,30,31)/b17-10- |
| InChIKey |
XPLWZORFPQLGMS-YVLHZVERSA-N |
| Molecular Weight |
462.425 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_665 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12268624 |
![4-[(4Z)-4-(4-isobutoxy-3-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid](/api/spectrum/FEeIgYpXMm2/structure.png?h=300&w=458 "4-[(4Z)-4-(4-isobutoxy-3-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid")
