| NACRES | NA.12 |
|---|---|
| PubChem Substance ID | 24872715 |
| UNSPSC Code | 12352106 |
| MDL number | MFCD00143997 |
| InChI | 1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1 |
| SMILES string | OC(=O)[13CH2]C(O)([13CH2]C(O)=O)C(O)=O |
| InChI key | KRKNYBCHXYNGOX-ZDOIIHCHSA-N |
| isotopic purity | 99 atom % 13C |
| form | solid |
| technique(s) | mass spectrometry (MS): suitable |
| mp | 153-159 °C (lit.) |
| mass shift | M+2 |
| Quality Level | 200 |
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