| NACRES | NA.12 |
|---|---|
| PubChem Substance ID | 24881544 |
| UNSPSC Code | 12352106 |
| MDL number | MFCD05664327 |
| InChI key | WIQBZDCJCRFGKA-CKHMYQJJSA-M |
| SMILES string | [Na+].[2H]C([2H])([2H])C([13CH3])C(=O)C([O-])=O |
| InChI | 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1D3,2+1; |
| isotopic purity | 99 atom % 13C |
| form | solid |
| technique(s) | bio NMR: suitable |
| mp | 227-230 °C (lit.) |
| mass shift | M+4 |
| Quality Level | 200 |
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