| SpectraBase Spectrum ID |
C98ZsDRG1Wk |
| Name |
4-{(4Z)-4-[3-bromo-4-(cyanomethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C21H16BrN3O5/c1-12-16(9-13-10-17(22)19(30-8-7-23)18(11-13)29-2)20(26)25(24-12)15-5-3-14(4-6-15)21(27)28/h3-6,9-11H,8H2,1-2H3,(H,27,28)/b16-9- |
| InChIKey |
ITXWBHQVMAIYGS-SXGWCWSVSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_13103 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: UZI/9050858; UBI_ID: UBI-013106 |
| Synonyms |
4-{4-[3-bromo-4-(cyanomethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Temperature |
308 °C |
![4-{(4Z)-4-[3-bromo-4-(cyanomethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid](/api/spectrum/C98ZsDRG1Wk/structure.png?h=300&w=458 "4-{(4Z)-4-[3-bromo-4-(cyanomethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid")
