| SpectraBase Spectrum ID |
LJZTSRBR0kC |
| Name |
benzoic acid, 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2-chloro- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.961812189 u |
| Formula |
C19H12BrClN2O5 |
| InChI |
InChI=1S/C19H12BrClN2O5/c1-9-12(4-10-5-16-17(7-14(10)20)28-8-27-16)18(24)23(22-9)11-2-3-15(21)13(6-11)19(25)26/h2-7H,8H2,1H3,(H,25,26)/b12-4+ |
| InChIKey |
CRYJHZNYIRFCAK-UUILKARUSA-N |
| Molecular Weight |
463.671 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_586 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8035116; Lab Info: SAD; Lab Number: SAD-9830429 |
| Temperature |
29.85 °C |
![benzoic acid, 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2-chloro-](/api/spectrum/LJZTSRBR0kC/structure.png?h=300&w=458 "benzoic acid, 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2-chloro-")
