| SpectraBase Compound ID | 89XIxO96mxV |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-9-2-4-10(5-3-9)11-6-7-12(16)14(8-15)13-11/h2-5,15H,6-8H2,1H3 |
| InChIKey | NLFSTCBYXQQTJU-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 | vVwK1q5atj |
|---|---|
| Name | 4,5-Dihydro-2-(hydroxymethyl)-6-p-tolyl-3(2H)-pyridazinone |
| 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/c1-9-2-4-10(5-3-9)11-6-7-12(16)14(8-15)13-11/h2-5,15H,6-8H2,1H3 |
| InChIKey | NLFSTCBYXQQTJU-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | OCN1N=C(CCC1=O)C1=CC=C(C=C1)C |