| SpectraBase Spectrum ID |
AsD59LFPdQB |
| Name |
Acetoacetic acid, 1-isopropylcyclohexyl ester |
| Alternate Name(s) |
1-Isopropylcyclohexyl acetoacetate
1-Isopropylcyclohexyl 3-oxobutanoate |
| CAS Registry Number |
15780-57-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-10(2)13(7-5-4-6-8-13)16-12(15)9-11(3)14/h10H,4-9H2,1-3H3 |
| InChIKey |
PPYGBYNQVWYCML-UHFFFAOYSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C(CC(=O)C)(=O)OC1(CCCCC1)C(C)C |
| SPLASH |
splash10-0006-9000000000-6d9a041054e51328abd2 |
| Source of Spectrum |
JX-2015-6-1578 |
| Wiley ID |
1728084 |
