| SpectraBase Spectrum ID |
7QSkKrqEh3g |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2-phenylacetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c17-11-10-14-8-4-5-9-15(14)19-16(18)12-13-6-2-1-3-7-13/h1-3,6-7,11,14-15H,4-5,8-10,12H2/t14-,15+/m1/s1 |
| InChIKey |
OFKCOHHOMUSKOH-CABCVRRESA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
260.333 g/mol |
| Optical Rotation |
[a]D20 = +7.9 (c = 1.0, CH2Cl2) |
| Quality |
119 |
| Reported Formula |
C16H20O3 |
| SMILES |
[C@@]1([C@@](CC=O)(CCCC1)[H])(OC(CC1=CC=CC=C1)=O)[H] |
| SPLASH |
splash10-001l-9000000000-0972669f36572da8e5ee |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-24-SM16-4v (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900256 |
