| SpectraBase Spectrum ID |
6XcyGHnhr0p |
| Name |
(1S,2R,E)-4-phenyl-1-(thiophen-2-yl)-2-(trifluoromethyl)but-3-ene-1,2-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.058835320 u |
| Formula |
C15H13F3O2S |
| InChI |
InChI=1S/C15H13F3O2S/c16-15(17,18)14(20,13(19)12-7-4-10-21-12)9-8-11-5-2-1-3-6-11/h1-10,13,19-20H/b9-8+/t13-,14-/m1/s1 |
| InChIKey |
BTXGGAOBFSMETC-SJXIGLKTSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
314.322 g/mol |
| Optical Rotation |
[a]D(rt) = -234.04 (c = 1.0, CH2Cl2) |
| Quality |
205 |
| Reported Formula |
C15H13OF3S |
| SMILES |
O[C@@]([C@@](\C=C\C1=CC=CC=C1)(O)C(F)(F)F)(C1=CC=CS1)[H] |
| SPLASH |
splash10-0ik9-2900000000-9597cec0e274a77fb1d3 |
| Sample Comments |
97% ee |
| Source of Spectrum |
QE-21-SM15-6 (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906619 |
