| SpectraBase Spectrum ID |
HDzeQUOJmmn |
| Name |
3,3-difluoro-2-(4-ethoxyanilino)-2-phenylpropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16F2N2O |
| InChI |
InChI=1S/C17H16F2N2O/c1-2-22-15-10-8-14(9-11-15)21-17(12-20,16(18)19)13-6-4-3-5-7-13/h3-11,16,21H,2H2,1H3 |
| InChIKey |
GQLDWLXGTMZBOM-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
302.325 g/mol |
| Optical Rotation |
[a]D20 = 30.1 (c = 1.20, CHCl3) |
| Reported Formula |
C17H16N2OF2 |
| SMILES |
N(C(c1ccccc1)(C#N)C(F)F)c1ccc(cc1)OCC |
| SPLASH |
splash10-0pbl-8900000000-0f5e045629810ff1036e |
| Sample Comments |
95% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849570 |
