| SpectraBase Compound ID | 2BcOqPK3G7u |
|---|---|
| InChI | InChI=1S/C14H16N2O/c1-10-13(11(2)16(3)15-10)9-14(17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | AVAOCKKVJHMKRG-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C14H16N2O |
| Exact Mass | 228.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fii1cNFhNBI |
|---|---|
| Name | 1-Phenyl-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.126263142 u |
| Formula | C14H16N2O |
| InChI | InChI=1S/C14H16N2O/c1-10-13(11(2)16(3)15-10)9-14(17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | AVAOCKKVJHMKRG-UHFFFAOYSA-N |
| Molecular Weight | 228.295 g/mol |
| SMILES | C1(=C(N(C)N=C1C)C)CC(=O)C1=CC=CC=C1 |