| SpectraBase Compound ID | 47W94rpWKuK |
|---|---|
| InChI | InChI=1S/C13H14N2/c1-2-3-9-15-11-13(10-14-15)12-7-5-4-6-8-12/h2,4-8,10-11H,1,3,9H2 |
| InChIKey | UMWBNIJTDIQKOM-UHFFFAOYSA-N |
| Mol Weight | 198.27 g/mol |
| Molecular Formula | C13H14N2 |
| Exact Mass | 198.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rpDp1EG4EA |
|---|---|
| Name | 1-(but-3'-Enyl)-4-phenyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.115698459 u |
| Formula | C13H14N2 |
| InChI | InChI=1S/C13H14N2/c1-2-3-9-15-11-13(10-14-15)12-7-5-4-6-8-12/h2,4-8,10-11H,1,3,9H2 |
| InChIKey | UMWBNIJTDIQKOM-UHFFFAOYSA-N |
| Molecular Weight | 198.269 g/mol |
| SMILES | C1(=CN(CCC=C)N=C1)C=1C=CC=CC1 |