| SpectraBase Spectrum ID |
EdBmuGw7a0r |
| Name |
4-(Acetylacetyl)-5-hydroxy-3-(4'-chlorophenethyl)-1-phenylpyrazole |
| Comments |
Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821362 |
| Copyright |
Copyright © 2020-2024 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 |
splash10-001s-9000000000-5247047304352916e61e |
| 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 |
851867 |
