| SpectraBase Compound ID | 99jAXE64w6k |
|---|---|
| InChI | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey | NTIZESTWPVYFNL-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F2SfBnTzwpo |
|---|---|
| Name | Isobutyl methyl ketone |
| Comments | MONAID: JP001802 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey | NTIZESTWPVYFNL-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 100.161 g/mol |
| SMILES | CC(C)CC(C)=O |
| SPLASH | splash10-0006-9000000000-a9ffc2a758c66f6fda40 |
| Source of Spectrum | SRH-2022-1802-0 |
| Synonyms | 4-Methyl-2-pentanone |
| Wiley ID | 1824174 |