| SpectraBase Compound ID | GkDQcXYHk6I |
|---|---|
| InChI | InChI=1S/C13H16N2/c1-10-11(2)14-15(12(10)3)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3 |
| InChIKey | KDGAKYBYIHVBDF-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C13H16N2 |
| Exact Mass | 200.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Klk8lkC0oQd |
|---|---|
| Name | Pyrazole, 1-phenylmethyl-3,4,5-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.131348523 u |
| Formula | C13H16N2 |
| InChI | InChI=1S/C13H16N2/c1-10-11(2)14-15(12(10)3)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3 |
| InChIKey | KDGAKYBYIHVBDF-UHFFFAOYSA-N |
| Molecular Weight | 200.285 g/mol |
| SMILES | C1(=C(N(CC=2C=CC=CC2)N=C1C)C)C |