| SpectraBase Spectrum ID |
LNMgX6NzBzF |
| Name |
4-(5-(4-Chlorophenyl)-3-oxo-2,3-dihydropyrazol-1-yl)benzoic acid |
| Alternate Name(s) |
4-[3-(4-chlorophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid
4-[3-(4-chlorophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11ClN2O3 |
| InChI |
InChI=1S/C16H11ClN2O3/c17-12-5-1-10(2-6-12)14-9-15(20)18-19(14)13-7-3-11(4-8-13)16(21)22/h1-9H,(H,18,20)(H,21,22) |
| InChIKey |
YCIWJZGTDBZBEI-UHFFFAOYSA-N |
| Molecular Weight |
314.728 g/mol |
| SMILES |
N1C(C=C(N1c1ccc(C(=O)O)cc1)c1ccc(cc1)Cl)=O |
| SPLASH |
splash10-014i-0009000000-f7e846cc5c212f36b9b8 |
| Source of Spectrum |
F2-44-4631-4d |
| Wiley ID |
1714980 |
