| SpectraBase Compound ID | 2d3seoBJjal |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3/i2D3,3D3 |
| InChIKey | SWXVUIWOUIDPGS-XERRXZQWSA-N |
| Mol Weight | 122.2 g/mol |
| Molecular Formula | C6H6D6O2 |
| Exact Mass | 122.12139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AhTs2wCKwW2 |
|---|---|
| Name | 5,5,5-Trideutero-4-Hydroxy-4-(trideuteromethyl)-2-pentanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6D6O2 |
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3/i2D3,3D3 |
| InChIKey | SWXVUIWOUIDPGS-XERRXZQWSA-N |
| Molecular Weight | 122.197 g/mol |
| SMILES | OC(CC(C)=O)(C([D])([D])[D])C([D])([D])[D] |
| SPLASH | splash10-0007-9000000000-4b02910d3fb53926079f |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1125771 |