| SpectraBase Spectrum ID |
5Q3qw4AZgJS |
| Name |
(3E)-4-[3-Methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.108564647 u |
| Formula |
C20H19NO3S |
| InChI |
InChI=1S/C20H19NO3S/c1-14-8-11-17(12-9-14)25(23,24)21-19(13-10-15(2)22)16(3)18-6-4-5-7-20(18)21/h4-13H,1-3H3/b13-10+ |
| InChIKey |
LVZCWDOJBWZARX-JLHYYAGUSA-N |
| Molecular Weight |
353.436 g/mol |
| SMILES |
C=1(S(N2C(=C(C)C=3C2=CC=CC3)\C=C\C(=O)C)(=O)=O)C=CC(=CC1)C |
![(3E)-4-[3-Methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one](/api/spectrum/5Q3qw4AZgJS/structure.png?h=300&w=458 "(3E)-4-[3-Methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one")
