| SpectraBase Spectrum ID |
HViq2YS4Z9A |
| Name |
benzoic acid, 4-[(4E)-4,5-dihydro-3-methyl-4-[[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-5-oxo-1H-pyrazol-1-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 |
444.143369755 u |
| Formula |
C24H20N4O5 |
| InChI |
InChI=1S/C24H20N4O5/c1-3-33-24(30)17-6-8-19(9-7-17)27-23(29)22(16(2)25-27)15-21-5-4-14-26(21)18-10-12-20(13-11-18)28(31)32/h4-15H,3H2,1-2H3/b22-15+ |
| InChIKey |
YKAKKMJHCJQYME-PXLXIMEGSA-N |
| Molecular Weight |
444.447 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16306 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11211842; Lab Info: LP; Lab Number: LP-3400388 |
![benzoic acid, 4-[(4E)-4,5-dihydro-3-methyl-4-[[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-5-oxo-1H-pyrazol-1-yl]-, ethyl ester](/api/spectrum/HViq2YS4Z9A/structure.png?h=300&w=458 "benzoic acid, 4-[(4E)-4,5-dihydro-3-methyl-4-[[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-5-oxo-1H-pyrazol-1-yl]-, ethyl ester")
