| SpectraBase Spectrum ID |
5Z6APU8WLmC |
| Name |
Diacetone alcohol |
| CAS Registry Number |
123-42-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey |
SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
768 |
| Retention Index |
790 |
| SMILES |
OC(CC(=O)C)(C)C |
| SPLASH |
splash10-052f-9100000000-080cdd658214d418457a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Hydroxy-4-methylpentan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010611 |
