| SpectraBase Compound ID | j3vEvUrY7V |
|---|---|
| InChI | InChI=1S/C15H16N2O3/c1-9-14(10(2)18)15(11(3)19)16-17(9)12-6-5-7-13(8-12)20-4/h5-8H,1-4H3 |
| InChIKey | OUKOFGPKQFATMK-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C15H16N2O3 |
| Exact Mass | 272.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHRLROVgbhX |
|---|---|
| Name | 1,1'-(1-(3-Methoxyphenyl)-5-methyl-1H-pyrazole-3,4-diyl)diethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.116092380 u |
| Formula | C15H16N2O3 |
| InChI | InChI=1S/C15H16N2O3/c1-9-14(10(2)18)15(11(3)19)16-17(9)12-6-5-7-13(8-12)20-4/h5-8H,1-4H3 |
| InChIKey | OUKOFGPKQFATMK-UHFFFAOYSA-N |
| SMILES | C=1(C(=NN(C1C)C1=CC=CC(=C1)OC)C(=O)C)C(=O)C |