| SpectraBase Compound ID | 5GXyRhi2WYY |
|---|---|
| InChI | InChI=1S/C9H14N2O2/c1-7-6-8(2)11(10-7)9(13)4-3-5-12/h6,12H,3-5H2,1-2H3 |
| InChIKey | MCFPEVSVLJEHCV-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C9H14N2O2 |
| Exact Mass | 182.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35lj1ejeeou |
|---|---|
| Name | 4-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-oxo-1-butanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.105527697 u |
| Formula | C9H14N2O2 |
| InChI | InChI=1S/C9H14N2O2/c1-7-6-8(2)11(10-7)9(13)4-3-5-12/h6,12H,3-5H2,1-2H3 |
| InChIKey | MCFPEVSVLJEHCV-UHFFFAOYSA-N |
| Molecular Weight | 182.223 g/mol |
| SMILES | C(CO)CC(N1N=C(C)C=C1C)=O |