| SpectraBase Spectrum ID |
UGcuGMOuYZ |
| Name |
Ethyl-2-cyano-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acrylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.126991416 u |
| Formula |
C17H17N3O3 |
| InChI |
InChI=1S/C17H17N3O3/c1-4-23-17(22)13(11-18)10-15-12(2)19(3)20(16(15)21)14-8-6-5-7-9-14/h5-10H,4H2,1-3H3/b13-10+ |
| InChIKey |
KWFXRDBDRDQJLL-JLHYYAGUSA-N |
| Molecular Weight |
311.341 g/mol |
| SMILES |
C(\C(=C\C=1C(N(N(C1C)C)C=1C=CC=CC1)=O)C#N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824555 |
