| SpectraBase Compound ID | GvQiHrHYOfB |
|---|---|
| InChI | InChI=1S/C6H10N2O/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)/i/hD |
| InChIKey | OYYADIVZIRDZGB-DYCDLGHISA-N |
| Mol Weight | 127.17 g/mol |
| Molecular Formula | C6H9DN2O |
| Exact Mass | 127.08559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KbeUAOUVpuD |
|---|---|
| Name | 3,4,4-Trimethyl-5-pyrazolone-1-D1 |
| CAS Registry Number | 53907-66-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9DN2O |
| InChI | InChI=1S/C6H10N2O/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)/i/hD |
| InChIKey | OYYADIVZIRDZGB-DYCDLGHISA-N |
| Molecular Weight | 127.165 g/mol |
| SMILES | C1(C(N([D])N=C1C)=O)(C)C |
| SPLASH | splash10-002f-9300000000-50e62969786a8778775a |
| Source of Spectrum | O-2-700-11 |
| Wiley ID | 4757 |