| SpectraBase Spectrum ID |
AAYhbfwPfZg |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2-methylbenzoate |
| Appearance |
Light blue oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-12-6-2-4-8-14(12)16(18)19-15-9-5-3-7-13(15)10-11-17/h2,4,6,8,11,13,15H,3,5,7,9-10H2,1H3/t13-,15+/m1/s1 |
| InChIKey |
KQMMNRNIANQRMZ-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 = +50.9 (c = 1.0, CH2Cl2) |
| Quality |
372 |
| Reported Formula |
C16H20O3 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=CC=C1C)=O)[H] |
| SPLASH |
splash10-017i-9500000000-075d222bf0744e9bfe40 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-24-SM13-4h (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900243 |
