| SpectraBase Spectrum ID |
5ms6dkEpDN2 |
| Name |
Methyl 3-oxohexanoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H12O3 |
| InChI |
InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3 |
| InChIKey |
SJPCQNABHNCLPB-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific ISQ OD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.201900375 |
| Molecular Weight |
144.170 g/mol |
| Reported Formula |
C7H12O3 |
| SMILES |
C(=O)(CC(OC)=O)CCC |
| SPLASH |
splash10-00di-9200000000-5f2c6b40f46afc120112 |
| Sample Comments |
tautomeric mixture (keto/enol, 9:1) |
| Source of Spectrum |
CBC-21-378-21 |
| Thin-Layer Chromatography |
Rf = 0.40 (SiO2, Hexanes/MTBE, 3:1) |
| Wiley ID |
1839751 |
