| SpectraBase Compound ID | 4tWorX3tzur |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3 |
| InChIKey | WNGRXUQETAVNOC-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbL0GOflzIm |
|---|---|
| Name | 1-(5-Keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3 |
| InChIKey | WNGRXUQETAVNOC-UHFFFAOYSA-N |
| Molecular Weight | 258.277 g/mol |
| SMILES | CC(=O)CC(=O)C1=C(C)NN(C1=O)C1=CC=CC=C1 |