| SpectraBase Spectrum ID |
E5pDpKAkFwE |
| Name |
3,3-difluoro-2-(4-methoxyanilino)-2-p-methylphenylpropionitrile |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16F2N2O |
| InChI |
InChI=1S/C17H16F2N2O/c1-12-3-5-13(6-4-12)17(11-20,16(18)19)21-14-7-9-15(22-2)10-8-14/h3-10,16,21H,1-2H3 |
| InChIKey |
JVTBXIAMQYCDPT-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
302.325 g/mol |
| Optical Rotation |
[a]D20 = 27.2 (c = 1.50, HCCl3) |
| Reported Formula |
C17H16N2OF2 |
| SMILES |
N(C(c1ccc(cc1)C)(C#N)C(F)F)c1ccc(cc1)OC |
| SPLASH |
splash10-00di-9600000000-cd030d7261e82ec7703b |
| Sample Comments |
93% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849566 |
