| SpectraBase Compound ID | JaIi0Oa2z2H |
|---|---|
| InChI | InChI=1S/C14H12N2O/c1-11-10-12(2)16(15-11)14(17)9-8-13-6-4-3-5-7-13/h3-7,10H,1-2H3 |
| InChIKey | HOXBZVRMAQMTEI-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C14H12N2O |
| Exact Mass | 224.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcIjadhcWJS |
|---|---|
| Name | 3,5-Dimethyl-1-(3'-phenylpropynoyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.094963013 u |
| Formula | C14H12N2O |
| InChI | InChI=1S/C14H12N2O/c1-11-10-12(2)16(15-11)14(17)9-8-13-6-4-3-5-7-13/h3-7,10H,1-2H3 |
| InChIKey | HOXBZVRMAQMTEI-UHFFFAOYSA-N |
| Molecular Weight | 224.263 g/mol |
| SMILES | C1(=NN(C(=C1)C)C(C#CC=1C=CC=CC1)=O)C |