| SpectraBase Spectrum ID |
97SQc0FXBkf |
| Name |
(+)-2-Ethyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.055800798 u |
| Formula |
C10H12O2S |
| InChI |
InChI=1S/C10H12O2S/c1-2-9-7-8-5-3-4-6-10(8)13(9,11)12/h3-6,9H,2,7H2,1H3 |
| InChIKey |
QMFNZJFINDGBMT-UHFFFAOYSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Molecular Weight |
196.264 g/mol |
| Optical Rotation |
[a]D20 = +18 (c = 0.59, CHCl3) |
| Quality |
696 |
| SMILES |
C1=CC2=C(C=C1)S(C(C2)CC)(=O)=O |
| SPLASH |
splash10-00li-2900000000-bc1d626a5dbf5fc06a09 |
| Sample Comments |
84% ee |
| Source of Spectrum |
ACI-56-SM19-4b (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895795 |
![(+)-2-Ethyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/97SQc0FXBkf/structure.png?h=300&w=458 "(+)-2-Ethyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
