| SpectraBase Spectrum ID |
1q0iS8uwvCV |
| Name |
3-(1,1-difluoro-2-(p-methylphenyl)2-oxoethyl)-3-hydroxy-1-methyl indol-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15F2NO3 |
| InChI |
InChI=1S/C18H15F2NO3/c1-11-7-9-12(10-8-11)15(22)18(19,20)17(24)13-5-3-4-6-14(13)21(2)16(17)23/h3-10,24H,1-2H3 |
| InChIKey |
WAQDFGIIWNBBEJ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
331.319 g/mol |
| Optical Rotation |
[a]D25 = -108.9 (c = 0.46, MeOH) |
| Reported Formula |
C18H15NO3F2 |
| SMILES |
OC1(c2ccccc2N(C1=O)C)C(C(c1ccc(cc1)C)=O)(F)F |
| SPLASH |
splash10-02tc-4900000000-649046b11052658b2c90 |
| Sample Comments |
93% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844727 |
