| SpectraBase Spectrum ID |
9n3oO5Lx26v |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 3-methoxybenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-19-14-7-4-6-13(11-14)16(18)20-15-8-3-2-5-12(15)9-10-17/h4,6-7,10-12,15H,2-3,5,8-9H2,1H3/t12-,15+/m1/s1 |
| InChIKey |
HVTGQYPFBIQMNH-DOMZBBRYSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +21.6 (c = 1.0, CH2Cl2) |
| Quality |
79 |
| Reported Formula |
C16H20O4 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC(=CC=C1)OC)=O)[H] |
| SPLASH |
splash10-0f9i-3900000000-cbb72a2fee566208c99a |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM13-4i (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900244 |
