| SpectraBase Spectrum ID |
6iA1UsACNs0 |
| Name |
3-acetyl-2,2-difluoro-3-hydroxy-1-phenylbutan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12F2O3 |
| InChI |
InChI=1S/C12H12F2O3/c1-8(15)11(2,17)12(13,14)10(16)9-6-4-3-5-7-9/h3-7,17H,1-2H3 |
| InChIKey |
RNYHIYBJMODNOO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
242.222 g/mol |
| Optical Rotation |
[a]D25 = -163.0 (c = 0.15, MeOH) |
| Reported Formula |
C12H12F2O3 |
| SMILES |
OC(C(C(c1ccccc1)=O)(F)F)(C(C)=O)C |
| SPLASH |
splash10-002r-9210000000-c673454de5cbc94f228b |
| Sample Comments |
97% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844719 |
