| SpectraBase Spectrum ID |
3otLOXkBmLq |
| Name |
3-(1,1-difluoro-2-(4-methoxy phenyl)-2-oxoethyl)-3-hydroxy-1-methyl indol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15F2NO4 |
| InChI |
InChI=1S/C18H15F2NO4/c1-21-14-6-4-3-5-13(14)17(24,16(21)23)18(19,20)15(22)11-7-9-12(25-2)10-8-11/h3-10,24H,1-2H3 |
| InChIKey |
QANCSFIHMYWAET-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
347.318 g/mol |
| Optical Rotation |
[a]D25 = -112.8 (c = 0.98, MeOH) |
| Reported Formula |
C18H15F2NO4 |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1ccc(cc1)OC)=O)(F)F |
| SPLASH |
splash10-03dr-3900000000-1084016391dd1cf660b3 |
| Sample Comments |
95% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844730 |
