| SpectraBase Compound ID | IPbeP9kpDWQ |
|---|---|
| InChI | InChI=1S/C16H22N2/c1-13-12-15(17-18(13)16(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | RTXGPCGBELHDMR-UHFFFAOYSA-N |
| Mol Weight | 242.37 g/mol |
| Molecular Formula | C16H22N2 |
| Exact Mass | 242.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99jT9JwInAl |
|---|---|
| Name | 1-Tert-butyl-5-methyl-3-(2-phenylethyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.178298716 u |
| Formula | C16H22N2 |
| InChI | InChI=1S/C16H22N2/c1-13-12-15(17-18(13)16(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | RTXGPCGBELHDMR-UHFFFAOYSA-N |
| Molecular Weight | 242.366 g/mol |
| SMILES | C1(=NN(C(=C1)C)C(C)(C)C)CCC1=CC=CC=C1 |