SpectraBase Spectrum ID |
6Y9ajwczyHA |
Name |
(+)-2-Benzyl-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/c16-18(17)14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18/h1-9,14H,10-11H2 |
InChIKey |
OGFIGQBKZDDKIA-UHFFFAOYSA-N |
Instrument Name |
GCMSQP2010 SE |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.201701409 |
Optical Rotation |
[a]D20 = +32 (c = 0.84, CHCl3) |
Quality |
467 |
SMILES |
C1=CC2=C(C=C1)S(C(C2)CC1=CC=CC=C1)(=O)=O |
SPLASH |
splash10-0006-6970000000-2b54d995bb4c7dd6b333 |
Sample Comments |
69% ee |
Source of Spectrum |
ACI-56-SM19-4d (DOI: 10.1002/anie.201701409) |
Wiley ID |
1895797 |