| SpectraBase Spectrum ID |
LSoFxtUjopf |
| Name |
3,3-difluoro-2-(4-bromoanilino)-2-phenylpropanenitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H11BrF2N2 |
| InChI |
InChI=1S/C15H11BrF2N2/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 |
KSXPFKGLPUBQNC-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
337.168 g/mol |
| Optical Rotation |
[a]D20 = 22.4 (c = 1.32, HCCl3) |
| Reported Formula |
C15H11N2F2Br |
| SMILES |
N(C(c1ccccc1)(C#N)C(F)F)c1ccc(cc1)Br |
| SPLASH |
splash10-0udr-9030000000-1f959455e3806597388c |
| Sample Comments |
90% ee |
| Source of Spectrum |
CN102161631B |
| Wiley ID |
1849571 |
