| SpectraBase Spectrum ID |
E5OPTya2zUy |
| Name |
3,3-difluoro-2-(4-methoxyphenyl)-2-(4-methoxyanilino)propionitrile |
| Appearance |
Light red oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16F2N2O2 |
| InChI |
InChI=1S/C17H16F2N2O2/c1-22-14-7-3-12(4-8-14)17(11-20,16(18)19)21-13-5-9-15(23-2)10-6-13/h3-10,16,21H,1-2H3 |
| InChIKey |
SFRAFKZMOGYVJO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
318.324 g/mol |
| Optical Rotation |
[a]D20 = 41.3 (c = 3.01, HCCl3) |
| Reported Formula |
C17H16N2O2F2 |
| SMILES |
N(C(c1ccc(cc1)OC)(C#N)C(F)F)c1ccc(cc1)OC |
| SPLASH |
splash10-0h2f-9600000000-8b554b737e1fdbaacfd4 |
| Sample Comments |
91% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849568 |
