| SpectraBase Spectrum ID |
4zmaDn8Wp2p |
| Name |
(4R,5R)-5-Butyl-4-fluoro-5-phenylpyrrolidin-2-one |
| Appearance |
Semi-solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.137242366 u |
| Formula |
C14H18FNO |
| InChI |
InChI=1S/C14H18FNO/c1-2-3-9-14(11-7-5-4-6-8-11)12(15)10-13(17)16-14/h4-8,12H,2-3,9-10H2,1H3,(H,16,17)/t12-,14+/m0/s1 |
| InChIKey |
JQYWVGAEWZXAKD-GXTWGEPZSA-N |
| Instrument Name |
Thermo Finnigan Polaris Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201900685 |
| Molecular Weight |
235.302 g/mol |
| Optical Rotation |
[a]D26 = -115.7 (c = 0.5, CHCl3) |
| Quality |
66 |
| Reported Formula |
C14H18FNO |
| SMILES |
N1[C@]([C@](CC1=O)(F)[H])(CCCC)C1=CC=CC=C1 |
| SPLASH |
splash10-004i-0900000000-db2c3825aec8192a9b17 |
| Source of Spectrum |
K1-2019-4718-(4R,5R)-2m (DOI: 10.1002/ejoc.201900685) |
| Wiley ID |
1891969 |
