| SpectraBase Compound ID | 3M1XXwiYsY1 |
|---|---|
| InChI | InChI=1S/C14H18N2/c1-3-4-8-13-11-15-16(2)14(13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | SETZYJUXYGFIQQ-UHFFFAOYSA-N |
| Mol Weight | 214.31 g/mol |
| Molecular Formula | C14H18N2 |
| Exact Mass | 214.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXKIxdNxAeK |
|---|---|
| Name | 4-Butyl-1-methyl-5-phenylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.146998588 u |
| Formula | C14H18N2 |
| InChI | InChI=1S/C14H18N2/c1-3-4-8-13-11-15-16(2)14(13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | SETZYJUXYGFIQQ-UHFFFAOYSA-N |
| Molecular Weight | 214.312 g/mol |
| SMILES | C=1(N(N=CC1CCCC)C)C=1C=CC=CC1 |