| SpectraBase Spectrum ID |
KIIhp5ByBS |
| Name |
(S)-2-allyl-2-(3-fluorophenyl)cyclohexan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.126343329 u |
| Formula |
C15H17FO |
| InChI |
InChI=1S/C15H17FO/c1-2-9-15(10-4-3-8-14(15)17)12-6-5-7-13(16)11-12/h2,5-7,11H,1,3-4,8-10H2/t15-/m1/s1 |
| InChIKey |
HGNNUWJRIQHGJO-OAHLLOKOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
232.298 g/mol |
| Optical Rotation |
[a]D = +297.5 (c = 0.4, CH2Cl2 |
| Quality |
71 |
| Reported Formula |
C15H17FO |
| SMILES |
C1C([C@](CCC1)(C1=CC(=CC=C1)F)CC=C)=O |
| SPLASH |
splash10-0a4i-0900000000-7a5fdd48e2627e9abd44 |
| Sample Comments |
er = 97:3 (method A), 94.5:5.5 (method B) |
| Source of Spectrum |
ACI-55-SM11-2f (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897447 |
