| SpectraBase Spectrum ID |
DH2XzXAFMJC |
| Name |
(-)-3-(4-Fluorophenyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide |
| Appearance |
Colorless crystalline solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.046378929 u |
| Formula |
C14H11FO2S |
| InChI |
InChI=1S/C14H11FO2S/c15-11-7-5-10(6-8-11)13-9-18(16,17)14-4-2-1-3-12(13)14/h1-8,13H,9H2 |
| InChIKey |
RCRYOACWEUNMLW-UHFFFAOYSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Molecular Weight |
262.298 g/mol |
| Optical Rotation |
[a]D20 = -6.0 (c = 0.52, CHCl3) |
| Quality |
249 |
| SMILES |
C1=CC2=C(C=C1)S(CC2C1=CC=C(C=C1)F)(=O)=O |
| SPLASH |
splash10-0532-0930000000-6c73b1d1ab1e87dd0d3d |
| Sample Comments |
93% ee |
| Source of Spectrum |
ACI-56-SM18-2k (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895786 |
![(-)-3-(4-Fluorophenyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/DH2XzXAFMJC/structure.png?h=300&w=458 "(-)-3-(4-Fluorophenyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
