| SpectraBase Spectrum ID |
I3EAFUDFAkz |
| Name |
5-Methyl-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-5-carboxylic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.121906035 u |
| Formula |
C18H17N3O4 |
| InChI |
InChI=1S/C18H17N3O4/c1-18(17(22)25-2)12-16(13-6-4-3-5-7-13)19-20(18)14-8-10-15(11-9-14)21(23)24/h3-11H,12H2,1-2H3 |
| InChIKey |
AQUSGDHEIMAVQF-UHFFFAOYSA-N |
| Molecular Weight |
339.351 g/mol |
| SMILES |
C1=C(C=CC(=C1)N1C(CC(C2=CC=CC=C2)=N1)(C)C(OC)=O)N(=O)=O |
