| SpectraBase Compound ID | EewLZs4mM4K |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UdsXKleeHI |
|---|---|
| Name | 4-PENTANONE, 3,3,5,5,5-PENTADEUTERO-2-HYDROXY-2-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H7D5O2 |
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Instrument Name | CH7 |
| Molecular Weight | 116.0834 |
| SMILES | OC(C)(C)CC(=O)C |
| SPLASH | splash10-052e-9000000000-e48baa07e4d2a1ff59d6 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |