| SpectraBase Spectrum ID |
8g2sGTD0eqZ |
| Name |
Hexanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]- |
| CAS Registry Number |
92811-10-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H28O3 |
| InChI |
InChI=1S/C16H28O3/c1-5-6-13(17)10-16(18)19-15-9-12(4)7-8-14(15)11(2)3/h11-12,14-15H,5-10H2,1-4H3/t12-,14+,15+/m0/s1 |
| InChIKey |
VUQAUGNLGQCAEF-NWANDNLSSA-N |
| Molecular Weight |
268.397 g/mol |
| SMILES |
[C@@]1(OC(CC(=O)CCC)=O)([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H] |
| SPLASH |
splash10-00dv-9400000000-07530bd0e32380c87a87 |
| Source of Spectrum |
AJ-57-1905-17 |
| Synonyms |
(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl 3-oxohexanoate
1-Methyl 3-oxohexanoate |
| Wiley ID |
1272418 |
![Hexanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]-](/api/spectrum/8g2sGTD0eqZ/structure.png?h=300&w=458 "Hexanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]-")
