| SpectraBase Spectrum ID |
CKsibG7Z0H6 |
| Name |
4-(Acetylacetyl)-5-hydroxy-3-(4'-chlorophenethyl)-1-phenylpyrazole |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 851867 moved to the Legacy library |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19ClN2O3 |
| InChI |
InChI=1S/C21H19ClN2O3/c1-14(25)13-19(26)20-18(12-9-15-7-10-16(22)11-8-15)23-24(21(20)27)17-5-3-2-4-6-17/h2-8,10-11,27H,9,12-13H2,1H3 |
| InChIKey |
AOXIGWSAVRUTOE-UHFFFAOYSA-N |
| Molecular Weight |
382.847 g/mol |
| SMILES |
Oc1c(c(CCc2ccc(cc2)Cl)n[n]1-c1ccccc1)C(CC(=O)C)=O |
| SPLASH |
splash10-0005-9204000000-dc11ffd3d6563195c400 |
| Source of Spectrum |
SK-21-1197-3 |
| Synonyms |
1-{3-[2-(4-chlorophenyl)ethyl]-5-hydroxy-1-phenyl-1H-pyrazol-4-yl}-1,3-butanedione |
| Wiley ID |
1821362 |
