| SpectraBase Spectrum ID |
EjJzpC4VQHA |
| Name |
4-(5-(4-Nitrophenyl)-3-oxo-2,3-dihydropyrazol-1-yl)benzoic acid |
| Alternate Name(s) |
4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid
4-[3-(4-nitrophenyl)-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 |
C16H11N3O5 |
| InChI |
InChI=1S/C16H11N3O5/c20-15-9-14(10-1-7-13(8-2-10)19(23)24)18(17-15)12-5-3-11(4-6-12)16(21)22/h1-9H,(H,17,20)(H,21,22) |
| InChIKey |
VCPCISKEEPIHNU-UHFFFAOYSA-N |
| Molecular Weight |
325.280 g/mol |
| SMILES |
N1C(C=C(N1c1ccc(C(=O)O)cc1)c1ccc(N(=O)=O)cc1)=O |
| SPLASH |
splash10-004i-0009000000-f7d79aa778d028b1f14c |
| Source of Spectrum |
F2-44-4631-4a |
| Wiley ID |
1705850 |
