| SpectraBase Compound ID | 8P6eM1y1kyW |
|---|---|
| InChI | InChI=1S/C5H6N2O3/c1-3-5(8)4(2)7(10)6(3)9/h1-2H3 |
| InChIKey | OCHDUCZHIXXEOJ-UHFFFAOYSA-N |
| Mol Weight | 142.11 g/mol |
| Molecular Formula | C5H6N2O3 |
| Exact Mass | 142.037842 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4jwis4nRdnp |
|---|---|
| Name | 4H-Pyrazol-4-one, 3,5-dimethyl-, 1,2-dioxide |
| CAS Registry Number | 17952-97-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H6N2O3 |
| InChI | InChI=1S/C5H6N2O3/c1-3-5(8)4(2)7(10)6(3)9/h1-2H3 |
| InChIKey | OCHDUCZHIXXEOJ-UHFFFAOYSA-N |
| Molecular Weight | 142.114 g/mol |
| SMILES | C=1(C(=O)C(=[N+]([O-])[N+]1[O-])C)C |
| SPLASH | splash10-0a4l-9000000000-09de281bc3a01b5b9550 |
| Source of Spectrum | Y-13-987-0 |
| Synonyms | 3,5-Dimethyl-4-oxo-4H-pyrazole 1,2-dioxide 3,5-Dimethyl-4H-pyrazol-4-one 1,2-dioxide 3,5-Dimethyl-1,2-dioxido-pyrazol-4-one 3,5-Dimethyl-1,2-dioxido-4-pyrazole-1,2-diiumone 3,5-Dimethyl-1,2-dioxidopyrazole-1,2-diium-4-one 3,5-Dimethyl-1,2-bis(oxidanidyl)pyrazole-1,2-diium-4-one NSC 236243 |
| Wiley ID | 1140581 |