| SpectraBase Spectrum ID |
CqboIf9KnQk |
| Name |
Heptanoic acid, 6-methyl-3-oxo-4-propyl-, methyl ester |
| Alternate Name(s) |
Methyl 6-methyl-3-oxo-4-propylheptanoate |
| CAS Registry Number |
104620-07-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-5-6-10(7-9(2)3)11(13)8-12(14)15-4/h9-10H,5-8H2,1-4H3 |
| InChIKey |
KQAZOENAKDGJAY-UHFFFAOYSA-N |
| Molecular Weight |
214.305 g/mol |
| SMILES |
C(C(C(CC(C)C)CCC)=O)C(=O)OC |
| SPLASH |
splash10-004i-0900000000-a140b1e762b570e0cd07 |
| Source of Spectrum |
C-108-7688-5 |
| Wiley ID |
1213612 |
