| SpectraBase Spectrum ID |
5HhEPEtTjn5 |
| Name |
(+)-(S)-2-Phenyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide |
| Appearance |
Colorless prisms |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.055800798 u |
| Formula |
C14H12O2S |
| InChI |
InChI=1S/C14H12O2S/c15-17(16)13-9-5-4-8-12(13)10-14(17)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1 |
| InChIKey |
ZAHJDTFHKFYNNQ-AWEZNQCLSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Molecular Weight |
244.308 g/mol |
| Optical Rotation |
[a]D20 = +66 (c 0.86, CHCl3) |
| Quality |
219 |
| SMILES |
C1=CC2=C(C=C1)S([C@@](C2)(C1=CC=CC=C1)[H])(=O)=O |
| SPLASH |
splash10-004i-1910000000-0f9237365f0a8f04bb18 |
| Sample Comments |
97% ee |
| Source of Spectrum |
ACI-56-SM15-2a (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895776 |
![(+)-(S)-2-Phenyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/5HhEPEtTjn5/structure.png?h=300&w=458 "(+)-(S)-2-Phenyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
