| SpectraBase Spectrum ID |
EOQL25yiQBq |
| Name |
(E)-1-Cyclohexyl-2,2-difluoro-3-hydroxy-4-methyl-4-hexen-1-one |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1248857 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20F2O2 |
| InChI |
InChI=1S/C13H20F2O2/c1-3-9(2)11(16)13(14,15)12(17)10-7-5-4-6-8-10/h3,10-11,16H,4-8H2,1-2H3/b9-3+ |
| InChIKey |
PBYQYOBXQPPZOY-YCRREMRBSA-N |
| Molecular Weight |
246.298 g/mol |
| SMILES |
OC(C(C(=O)C1CCCCC1)(F)F)\C(=C\C)C |
| SPLASH |
splash10-03di-0900000000-2e4baf1b54f90f238a81 |
| Source of Spectrum |
AJ-63-433-4 |
| Synonyms |
(4E)-1-cyclohexyl-2,2-difluoro-3-hydroxy-4-methyl-4-hexen-1-one |
| Wiley ID |
1821069 |
