| SpectraBase Spectrum ID |
HwAIal9JaAI |
| Name |
(-)-2-Isopropyl-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 |
210.071450863 u |
| Formula |
C11H14O2S |
| InChI |
InChI=1S/C11H14O2S/c1-8(2)11-7-9-5-3-4-6-10(9)14(11,12)13/h3-6,8,11H,7H2,1-2H3 |
| InChIKey |
QDFRQQOMQQXLOT-UHFFFAOYSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Molecular Weight |
210.291 g/mol |
| Optical Rotation |
[a]D20 = -16 (c = 0.51, CHCl3) |
| Quality |
548 |
| SMILES |
C1=CC2=C(C=C1)S(C(C2)C(C)C)(=O)=O |
| SPLASH |
splash10-0036-2900000000-f0b5620465018a125711 |
| Sample Comments |
84% ee |
| Source of Spectrum |
ACI-56-SM20-4e (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895798 |
![(-)-2-Isopropyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/HwAIal9JaAI/structure.png?h=300&w=458 "(-)-2-Isopropyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
