| SpectraBase Spectrum ID |
3Hi6e8PXw3c |
| Name |
n-propyl (2R,3R)-O-cyclohexylidene-4-fluorobutanoate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H21FO4 |
| InChI |
InChI=1S/C13H21FO4/c1-2-8-16-12(15)11-10(9-14)17-13(18-11)6-4-3-5-7-13/h10-11H,2-9H2,1H3/t10-,11+/m0/s1 |
| InChIKey |
ADNRHOIOEAOOSP-WDEREUQCSA-N |
| Instrument Name |
Finnigan PolarisQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.9.301 |
| Molecular Weight |
260.305 g/mol |
| Optical Rotation |
[a]D = +26.8 (c = 1.2, CDCl3) |
| Reported Formula |
C13H22FO4 |
| SMILES |
C12(O[C@]([C@@](O2)(C(=O)OCCC)[H])(CF)[H])CCCCC1 |
| SPLASH |
splash10-014i-0190000000-394a34079f6402fc720b |
| Source of Spectrum |
BJO-9-SM23-36a |
| Thin-Layer Chromatography |
Rf = 0.37 (diethyl ether/hexane, 10%) |
| Wiley ID |
1853810 |
