| SpectraBase Compound ID | Iju69GLEXZb |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-9-8-12(16)14(13(9)10(2)15)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | WLFHXOPKJLSLEJ-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BMkStRpZIr |
|---|---|
| Name | 5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c1-9-8-12(16)14(13(9)10(2)15)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | WLFHXOPKJLSLEJ-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C1(=O)N(N(C(C)=O)C(=C1)C)C1=CC=CC=C1 |