| SpectraBase Compound ID | 4FX0NafJ67t |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-14-11(8-16)10(7-15)12(13-14)9-5-3-2-4-6-9/h2-6,15-16H,7-8H2,1H3 |
| InChIKey | BKMRZUMINAEWKR-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NGBTl8LXQ6 |
|---|---|
| Name | 4,5-Bishydroxymethyl-1-methyl-3-phenyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-14-11(8-16)10(7-15)12(13-14)9-5-3-2-4-6-9/h2-6,15-16H,7-8H2,1H3 |
| InChIKey | BKMRZUMINAEWKR-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C1(=C(N(C)N=C1C1=CC=CC=C1)CO)CO |