| SpectraBase Spectrum ID |
2OqRiLKrWWU |
| Name |
(4R)-3-(2-(tert-Butyl)-3,3,4,4-tetrafluoro-4-(phenylthio)butanoyl)-4-phenyloxazolidin-2-one |
| Appearance |
White oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.133477428 u |
| Formula |
C23H23F4NO3S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C23H23F4NO3S/c1-21(2,3)18(22(24,25)23(26,27)32-16-12-8-5-9-13-16)19(29)28-17(14-31-20(28)30)15-10-6-4-7-11-15/h4-13,17-18H,14H2,1-3H3/t17-,18-/m0/s1 |
| InChIKey |
UBRGFPVYZSCHKB-ROUUACIJSA-N |
| Instrument Name |
Agilent 7890A-5975C quadrupole mass selective |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503531 |
| Molecular Weight |
469.495 g/mol |
| Optical Rotation |
[a]D = +18.0 (c = 0.01, CHCl3) |
| Quality |
198 |
| SMILES |
C1[C@](N(C(O1)=O)C([C@](C(C(SC1=CC=CC=C1)(F)F)(F)F)(C(C)(C)C)[H])=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0a4l-7591500000-460576823162ed787972 |
| Sample Comments |
dr > 99:1 |
| Source of Spectrum |
QE-22-SM16-11aw (DOI: 10.1002/chem.201503531) |
| Thin-Layer Chromatography |
0.32 (DCM/hexane, 1:1) |
| Wiley ID |
1902957 |
