| SpectraBase Spectrum ID |
37M6PL3Ci4l |
| Name |
3,3-difluoro-2-(4-chloroanilino)-2-phenylpropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H11ClF2N2 |
| InChI |
InChI=1S/C15H11ClF2N2/c16-12-6-8-13(9-7-12)20-15(10-19,14(17)18)11-4-2-1-3-5-11/h1-9,14,20H |
| InChIKey |
RDDNMVXBXZBRIL-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
292.717 g/mol |
| Optical Rotation |
[a]D20 = 40.5 (c = 0.89, HCCl3) |
| Reported Formula |
C15H11N2F2Cl |
| SMILES |
N(C(c1ccccc1)(C#N)C(F)F)c1ccc(cc1)Cl |
| SPLASH |
splash10-0h03-9120000000-5ef079871e393d694bcc |
| Sample Comments |
87% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849572 |
