| SpectraBase Spectrum ID |
CgExCYQTLHu |
| Name |
Cyclohexanebutanoic acid, 2-methyl-3-oxo-, ethyl ester, cis-(.+-.)- |
| Alternate Name(s) |
Ethyl 4-[(1S,2R)-2-methyl-3-oxocyclohexyl]butanoate
Ethyl-4-(2'-methyl-3'-oxocyclohexyl)butyrate |
| CAS Registry Number |
92486-16-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-3-16-13(15)9-5-7-11-6-4-8-12(14)10(11)2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1 |
| InChIKey |
YXAMRCOYPSNWQI-MNOVXSKESA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C1([C@@]([C@](CCCC(=O)OCC)(CCC1)[H])(C)[H])=O |
| SPLASH |
splash10-03di-7900000000-b873e5807e17ea5098f1 |
| Source of Spectrum |
H-67-852-0 |
| Wiley ID |
1227539 |
