| SpectraBase Spectrum ID |
BFUo1MOn7ou |
| Name |
Methyl 2-methyl-3-oxohexanoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H14O3 |
| InChI |
InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h6H,4-5H2,1-3H3 |
| InChIKey |
WSHHRAFOJRISDH-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific ISQ OD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.201900375 |
| Molecular Weight |
158.197 g/mol |
| Reported Formula |
C8H14O3 |
| SMILES |
C(=O)(C(C)C(OC)=O)CCC |
| SPLASH |
splash10-00di-9000000000-3e3c496d27618d6c3e72 |
| Sample Comments |
tautomeric mixture (keto/enol, 9:1) |
| Source of Spectrum |
CBC-21-SM12-13b |
| Thin-Layer Chromatography |
Rf = 0.37 (SiO2, Hexanes/MTBE, 5:1) |
| Wiley ID |
1839757 |
