| SpectraBase Spectrum ID |
IPF3FzJjKpH |
| Name |
Ethyl_2,3-dihydro-1-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-3-18-13(17)11-9-14(2)15(12(11)16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey |
DCTSHNXJYZHQSG-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C1(=O)C(C(=O)OCC)=CN(C)N1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82637 |
