| SpectraBase Spectrum ID |
IZ0Osd5smhY |
| Name |
3,3-difluoro-2-(4-methoxyanilino)-2-phenylpropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14F2N2O |
| InChI |
InChI=1S/C16H14F2N2O/c1-21-14-9-7-13(8-10-14)20-16(11-19,15(17)18)12-5-3-2-4-6-12/h2-10,15,20H,1H3 |
| InChIKey |
MBJGKKKZHXJTPL-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
288.298 g/mol |
| Optical Rotation |
[a]D20 = 20.5 (c = 1.09, CHCl3) |
| Reported Formula |
C16H14N2OF2 |
| SMILES |
N(C(c1ccccc1)(C#N)C(F)F)c1ccc(cc1)OC |
| SPLASH |
splash10-00di-9720000000-b244b579056100759088 |
| Sample Comments |
92% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849565 |
