| SpectraBase Spectrum ID |
JFHeNOKvMtU |
| Name |
Isobutylmethylketone |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
100.088815005 u |
| Formula |
C6H12O |
| InChI |
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
NTIZESTWPVYFNL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
100.161 g/mol |
| Nominal Mass |
100 u |
| Quality |
997 |
| Retention Index |
721 |
| SMILES |
C(CC(C)C)(=O)C |
| SPLASH |
splash10-052f-9000000000-ba55baa7cb8175e7dc93 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
MIBK
4-Methylpentan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024709 |
