| SpectraBase Compound ID | 4bfkGxARJOj |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3/i1D3,4D2 |
| InChIKey | SWXVUIWOUIDPGS-SGEUAGPISA-N |
| Mol Weight | 121.19 g/mol |
| Molecular Formula | C6H7D5O2 |
| Exact Mass | 121.115113 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9DjgjGFmhPT |
|---|---|
| Name | 1,1,1,3,3-Pentadeutero-4-hydroxy-4-methyl-2-pentanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7D5O2 |
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3/i1D3,4D2 |
| InChIKey | SWXVUIWOUIDPGS-SGEUAGPISA-N |
| Molecular Weight | 121.191 g/mol |
| SMILES | OC(C(C(C([D])([D])[D])=O)([D])[D])(C)C |
| SPLASH | splash10-052e-9000000000-e48baa07e4d2a1ff59d6 |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1125770 |