| SpectraBase Spectrum ID |
4Rr97kwxLE |
| Name |
(-)-(S)-3-(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/c1-18-12-8-6-11(7-9-12)14-10-19(16,17)15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3/t14-/m0/s1 |
| InChIKey |
ZDGWJNBEAPNBOO-AWEZNQCLSA-N |
| Instrument Name |
GCMSQP2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701409 |
| Optical Rotation |
[a]D20 = -7.8 (c = 0.88, CHCl3) |
| Quality |
347 |
| SMILES |
C1=CC2=C(C=C1)S(C[C@]2(C1=CC=C(C=C1)OC)[H])(=O)=O |
| SPLASH |
splash10-00di-0950000000-d534f3cc36404e4889f2 |
| Sample Comments |
97% ee |
| Source of Spectrum |
ACI-56-SM18-2l (DOI: 10.1002/anie.201701409) |
| Wiley ID |
1895787 |
![(-)-(S)-3-(4-Methoxyphenyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide](/api/spectrum/4Rr97kwxLE/structure.png?h=300&w=458 "(-)-(S)-3-(4-Methoxyphenyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide")
