| SpectraBase Spectrum ID |
AbQtBi2W9Bo |
| Name |
Octanoic acid, 3-oxo-, methyl ester |
| Alternate Name(s) |
3-ketocaprylic acid methyl ester
3-Oxooctanoic acid methyl ester
Methyl 3-oxidanylideneoctanoate
Methyl 3-oxooctanoate
EINECS 244-927-0 |
| CAS Registry Number |
22348-95-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3 |
| InChIKey |
YKLCWZMIZHQGFV-UHFFFAOYSA-N |
| Molecular Weight |
172.224 g/mol |
| SMILES |
C(=O)(OC)CC(=O)CCCCC |
| SPLASH |
splash10-03di-0900000000-512e97c6d2957b8dec88 |
| Source of Spectrum |
J-58-7438-0 |
| Wiley ID |
1168663 |
