| SpectraBase Compound ID | IDe1YKQMqHq |
|---|---|
| InChI | InChI=1S/C7H12N2O/c1-5-7(2,3)6(10)9(4)8-5/h1-4H3/i4D3 |
| InChIKey | BXPVASXSXJSJCE-GKOSEXJESA-N |
| Mol Weight | 143.2 g/mol |
| Molecular Formula | C7H9D3N2O |
| Exact Mass | 143.113793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L7qlRoUReIe |
|---|---|
| Name | 1-Trideuteriomethyl-3,4,4-trimethyl-2-pyrazolin-5-one |
| CAS Registry Number | 52512-98-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H9D3N2O |
| InChI | InChI=1S/C7H12N2O/c1-5-7(2,3)6(10)9(4)8-5/h1-4H3/i4D3 |
| InChIKey | BXPVASXSXJSJCE-GKOSEXJESA-N |
| Molecular Weight | 143.204 g/mol |
| SMILES | C1(C(N(C([D])([D])[D])N=C1C)=O)(C)C |
| SPLASH | splash10-0006-9400000000-fe6cb7fd1136da282a86 |
| Source of Spectrum | AN-82-764-16 |
| Wiley ID | 1139177 |