| SpectraBase Spectrum ID |
AYZLGLIOqEU |
| Name |
(3E)-4-{5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}but-3-en-2-one |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.003427550 u |
| Formula |
C19H16BrNO3S |
| InChI |
InChI=1S/C19H16BrNO3S/c1-13-3-8-17(9-4-13)25(23,24)21-12-15(6-5-14(2)22)18-11-16(20)7-10-19(18)21/h3-12H,1-2H3/b6-5+ |
| InChIKey |
HAXAVGXHVOXERP-AATRIKPKSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901551 |
| Molecular Weight |
418.305 g/mol |
| Quality |
157 |
| SMILES |
C1(Br)=CC2=C(C=C1)N(C=C2\C=C\C(C)=O)S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-07vl-7760900000-ffc9ac67b8073ee07599 |
| Source of Spectrum |
K1-2019-7716-1q (DOI: 10.1002/ejoc.201901551) |
| Wiley ID |
1892359 |
![(3E)-4-{5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}but-3-en-2-one](/api/spectrum/AYZLGLIOqEU/structure.png?h=300&w=458 "(3E)-4-{5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}but-3-en-2-one")
