| SpectraBase Spectrum ID |
C6qcT29cD2Y |
| Name |
3-(1,1-difluoro-2-(3-methyl phenyl)2-oxoethyl)-3-hydroxy-1-methyl indol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15F2NO3 |
| InChI |
InChI=1S/C18H15F2NO3/c1-11-6-5-7-12(10-11)15(22)18(19,20)17(24)13-8-3-4-9-14(13)21(2)16(17)23/h3-10,24H,1-2H3 |
| InChIKey |
OYUGUCHTJMYURZ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
331.319 g/mol |
| Optical Rotation |
[a]D25 = -96.0 (c = 0.80, MeOH) |
| Reported Formula |
C18H15NO3F2 |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1cccc(c1)C)=O)(F)F |
| SPLASH |
splash10-03xu-5900000000-a1b6de2a44772c010c0e |
| Sample Comments |
95% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844728 |
