| SpectraBase Spectrum ID |
HBZig0O4I48 |
| Name |
(4R)-3-((R)-2-Benzyl-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 |
503.117827363 u |
| Formula |
C26H21F4NO3S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C26H21F4NO3S/c27-25(28,26(29,30)35-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23(32)31-22(17-34-24(31)33)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22+/m1/s1 |
| InChIKey |
OLVQESYIUVMSLW-YADHBBJMSA-N |
| Instrument Name |
Agilent 7890A-5975C quadrupole mass selective |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503531 |
| Molecular Weight |
503.512 g/mol |
| Optical Rotation |
[a]D = -56.1 (c = 0.01, CHCl3) |
| Quality |
79 |
| Reported Formula |
C26H21F4NO3S |
| SMILES |
C1[C@](N(C(O1)=O)C([C@](C(C(SC1=CC=CC=C1)(F)F)(F)F)(CC1=CC=CC=C1)[H])=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0006-4790000000-a4c1fd40489875d6185e |
| Sample Comments |
dr = 98:2 |
| Source of Spectrum |
QE-22-SM15-11av (DOI: 10.1002/chem.201503531) |
| Thin-Layer Chromatography |
0.39 (DCM/hexane, 1:1) |
| Wiley ID |
1902956 |
