| SpectraBase Spectrum ID |
5aaz1GhV89B |
| Name |
benzoic acid, 2-chloro-5-[(4E)-4-[(2-fluorophenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.052048114 u |
| Formula |
C18H12ClFN2O3 |
| InChI |
InChI=1S/C18H12ClFN2O3/c1-10-13(8-11-4-2-3-5-16(11)20)17(23)22(21-10)12-6-7-15(19)14(9-12)18(24)25/h2-9H,1H3,(H,24,25)/b13-8+ |
| InChIKey |
CWULPOPPJRTXKR-MDWZMJQESA-N |
| Molecular Weight |
358.756 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_928 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8033326; Lab Info: SAD; Lab Number: SAD-9830350 |
![benzoic acid, 2-chloro-5-[(4E)-4-[(2-fluorophenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-](/api/spectrum/5aaz1GhV89B/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[(4E)-4-[(2-fluorophenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-")
