| SpectraBase Compound ID | ApGATyxSOBX |
|---|---|
| InChI | InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3 |
| InChIKey | JXPVQFCUIAKFLT-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C5H8N2O |
| Exact Mass | 112.063663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkUn3aJ0INE |
|---|---|
| Name | 1,3-Dimethyl-3-pyrazolin-5-one |
| CAS Registry Number | 3201-29-4 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C5H8N2O |
| InChI | InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3 |
| InChIKey | JXPVQFCUIAKFLT-UHFFFAOYSA-N |
| Instrument Name | Varian XL-200 |
| Literature Reference | A.R. Katritzky, P. Barczynski, J. Chem. Soc. Perkin II 969 (1987). |
| NMR Standard | CD3CN |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3CN |