| SpectraBase Compound ID | HPBflQnGFaT |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-9-11(16-3)12(15)14(13(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | LJUSOINZRQFKAZ-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYomdrWHEMv |
|---|---|
| Name | 4-Methoxy-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-9-11(16-3)12(15)14(13(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | LJUSOINZRQFKAZ-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C1(C(=C(C)N(N1C1=CC=CC=C1)C)OC)=O |