| SpectraBase Spectrum ID |
C2Sgve47zRZ |
| Name |
(3S,4R)-4-ethyl-6-oxohexan-3-yl benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-3-12(10-11-16)14(4-2)18-15(17)13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3/t12-,14+/m1/s1 |
| InChIKey |
ISBGRGIIAPZUGS-OCCSQVGLSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
248.322 g/mol |
| Optical Rotation |
[a]D20 = +0.8 (c = 1.0, CH2Cl2) |
| Quality |
50 |
| Reported Formula |
C15H20O3 |
| SMILES |
[C@@]([C@](CC)(CC=O)[H])(OC(C1=CC=CC=C1)=O)(CC)[H] |
| SPLASH |
splash10-0a4i-3900000000-373125d07704d4b833f9 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-24-SM15-4q (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900252 |
