| SpectraBase Spectrum ID |
FVvSQFwGjrb |
| Name |
3-(1,1-difluoro-2-(2-thienyl)-2-oxoethyl)-3-hydroxy-1-methylindol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H11F2NO3S |
| InChI |
InChI=1S/C15H11F2NO3S/c1-18-10-6-3-2-5-9(10)14(21,13(18)20)15(16,17)12(19)11-7-4-8-22-11/h2-8,21H,1H3 |
| InChIKey |
FXPSWSREWRIKBJ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
323.314 g/mol |
| Optical Rotation |
[a]D25 = -66.7 (c = 0.15, MeOH) |
| Reported Formula |
C14H9NO3F2S |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1sccc1)=O)(F)F |
| SPLASH |
splash10-03dj-2900000000-b91db122c076aeb0a16b |
| Sample Comments |
88% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844734 |
