| SpectraBase Spectrum ID |
2EqWCw7Iacj |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2,4,6-trimethylbenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.172544630 u |
| Formula |
C18H24O3 |
| InChI |
InChI=1S/C18H24O3/c1-12-10-13(2)17(14(3)11-12)18(20)21-16-7-5-4-6-15(16)8-9-19/h9-11,15-16H,4-8H2,1-3H3/t15-,16+/m1/s1 |
| InChIKey |
VOCNPPMWYXPGRW-CVEARBPZSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +25.8 (c = 1.0, CH2Cl2) |
| Quality |
133 |
| Reported Formula |
C18H24O3 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=C(C=C(C=C1C)C)C)=O)[H] |
| SPLASH |
splash10-0002-3900000000-e78f285d3fcd7d07c840 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM13-4j (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900245 |
