| SpectraBase Spectrum ID |
GGu9Eq4uBEE |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 4-methylbenzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-12-6-8-14(9-7-12)16(18)19-15-5-3-2-4-13(15)10-11-17/h6-9,11,13,15H,2-5,10H2,1H3/t13-,15+/m1/s1 |
| InChIKey |
FMACXTZXBVTJBK-HIFRSBDPSA-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 = +50.3 (c = 1.0, CH2Cl2) |
| Quality |
148 |
| Reported Formula |
C16H20O3 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=C(C=C1)C)=O)[H] |
| SPLASH |
splash10-014m-9500000000-f87be5283b3879bfde1f |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM11-4d (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900239 |
