SpectraBase Spectrum ID |
1ezWVnmhNgV |
Name |
(+)-2-(4-Methoxyphenyl)-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 |
274.066365482 u |
Formula |
C15H14O3S |
InChI |
InChI=1S/C15H14O3S/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)19(15,16)17/h2-9,15H,10H2,1H3 |
InChIKey |
HYZUIRVGWUCGFC-UHFFFAOYSA-N |
Instrument Name |
GCMSQP2010 SE |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.201701409 |
Optical Rotation |
[a]D20 = +70 (c = 0.88, CHCl3) |
Quality |
241 |
SMILES |
C1=CC2=C(C=C1)S(C(C2)C1=CC=C(C=C1)OC)(=O)=O |
SPLASH |
splash10-05r0-0940000000-4a68fd777437769c60a0 |
Sample Comments |
99% ee |
Source of Spectrum |
ACI-56-SM16-2f (DOI: 10.1002/anie.201701409) |
Wiley ID |
1895781 |