| SpectraBase Spectrum ID |
2qH2Bq8G8m |
| Name |
(-)-3-(p-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide |
| Appearance |
Colorless crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.071450863 u |
| Formula |
C15H14O2S |
| InChI |
InChI=1S/C15H14O2S/c1-11-6-8-12(9-7-11)14-10-18(16,17)15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3 |
| InChIKey |
AVUNSDUNKRNNRF-UHFFFAOYSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Optical Rotation |
[a]D20 = -8.9 (c 0.77, CHCl3) |
| Quality |
232 |
| SMILES |
C1=CC2=C(C=C1)S(CC2C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-056r-0930000000-233d79f5aebfeb4d62e5 |
| Sample Comments |
98% ee |
| Source of Spectrum |
ACI-56-SM17-2h (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895783 |
![(-)-3-(p-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/2qH2Bq8G8m/structure.png?h=300&w=458 "(-)-3-(p-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
