| SpectraBase Spectrum ID |
B2YdcTLfIx6 |
| Name |
2-Octanone (monodeuterated) |
| CAS Registry Number |
111-13-7 |
| Comments |
Note: The molecular formula of the structure shown is C8H16O - which differs from the formula reported for the mass spectrum (C8H15DO) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H15DO |
| InChI |
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey |
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| SMILES |
CCCCCCC(=O)C |
| SPLASH |
splash10-052f-9000000000-9fa9da9197b9fd6a7a07 |
| Synonyms |
2-Oxooctane (monodeuterated)
Hexyl methyl ketone (monodeuterated)
Methyl hexyl ketone (monodeuterated)
Methyl n-hexyl ketone (monodeuterated)
n-Hexyl methyl ketone (monodeuterated)
Octan-2-one (monodeuterated) |
| Wiley ID |
1483998 |
