| SpectraBase Spectrum ID |
DvnQq0ZtHZu |
| Name |
(S)-1,1-Difluoro-3-(pyridin-4-yl)propan-2-ol |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9F2NO |
| InChI |
InChI=1S/C8H9F2NO/c9-8(10)7(12)5-6-1-3-11-4-2-6/h1-4,7-8,12H,5H2/t7-/m0/s1 |
| InChIKey |
NQUOEFXEDNHWBN-ZETCQYMHSA-N |
| Instrument Name |
Finnigan MAT 95 XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.202100392 |
| Molecular Weight |
173.163 g/mol |
| Optical Rotation |
[a]D27 = 1.04 (598 nm) (c = 1.0, CHCl3) |
| Reported Formula |
C8H9F2NO |
| SMILES |
O[C@@](Cc1ccncc1)(C(F)F)[H] |
| SPLASH |
splash10-006x-9200000000-b61160c4afb87c7fbc38 |
| Sample Comments |
>99% ee |
| Source of Spectrum |
CBC-22-SM12-3c |
| Wiley ID |
1865337 |
