| SpectraBase Compound ID | De85ELHVDSa |
|---|---|
| InChI | InChI=1S/C17H16N2/c1-14-12-17(16-10-6-3-7-11-16)18-19(14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3 |
| InChIKey | SDIJRSPMFDUJDL-UHFFFAOYSA-N |
| Mol Weight | 248.33 g/mol |
| Molecular Formula | C17H16N2 |
| Exact Mass | 248.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbP0oMDMQqR |
|---|---|
| Name | 1-Benzyl-5-methyl-3-phenylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.131348523 u |
| Formula | C17H16N2 |
| InChI | InChI=1S/C17H16N2/c1-14-12-17(16-10-6-3-7-11-16)18-19(14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3 |
| InChIKey | SDIJRSPMFDUJDL-UHFFFAOYSA-N |
| Molecular Weight | 248.329 g/mol |
| SMILES | C1(=NN(C(=C1)C)CC=1C=CC=CC1)C=1C=CC=CC1 |