| SpectraBase Spectrum ID |
LYNOeKHq9Uz |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2,4,6-triisopropylbenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.266445016 u |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-15(2)19-13-20(16(3)4)23(21(14-19)17(5)6)24(26)27-22-10-8-7-9-18(22)11-12-25/h12-18,22H,7-11H2,1-6H3/t18-,22+/m1/s1 |
| InChIKey |
FHIWBRGAONVZFD-GCJKJVERSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
372.549 g/mol |
| Optical Rotation |
[a]D20 = -5.0 (c = 1.0, CH2Cl2) |
| Quality |
147 |
| Reported Formula |
C24H36O3 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)=O)[H] |
| SPLASH |
splash10-001i-3290000000-4538797375b3d056f017 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-24-SM14-4k (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900246 |
